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PID QueryLength Homolgous Sequence in PDB UniProt Query TITLE
50887 4405 500 P0DTC1(R1A_WCPV) RecName: Full=Replicase polyprotein 1a; Short=pp1a;AltName: Full=ORF1a polyprotein;Contains: RecName: Full=Non-structural protein 1; Short=nsp1; AltName: Full=Leader protein;Contains: RecName: Full=Non-structural protein 2; Short=nsp2; AltName: Full=p65 homolog;Contains: RecName: Full=Non-structural protein 3; Short=nsp3; EC=3.4.19.12; EC=3.4.22.69; AltName: Full=PL2-PRO; AltName: Full=Papain-like proteinase; Short=PL-PRO; AltName: Full=SARS coronavirus main proteinase;Contains: RecName: Full=Non-structural protein 4; Short=nsp4;Contains: RecName: Full=3C-like proteinase; Short=3CL-PRO; Short=3CLp; EC=3.4.22.-; AltName: Full=nsp5;Contains: RecName: Full=Non-structural protein 6; Short=nsp6;Contains: RecName: Full=Non-structural protein 7; Short=nsp7;Contains: RecName: Full=Non-structural protein 8; Short=nsp8;Contains: RecName: Full=Non-structural protein 9; Short=nsp9;Contains: RecName: Full=Non-structural protein 10; Short=nsp10; AltName: Full=Growth factor-like peptide; Short=GFL;Contains: RecName: Full=Non-structural protein 11; Short=nsp11;
QUERYSEQ
MESLVPGFNEKTHVQLSLPVLQVRDVLVRGFGDSVEEVLSEARQHLKDGTCGLVEVEKGVLPQLEQPYVFIKRSDARTAPHGHVMVELVAELEGIQYGRSGETLGVLVPHVGEIPVAYRKVLLRKNGNKGAGGHSYGADLKSFDLGDELG
TDPYEDFQENWNTKHSSGVTRELMRELNGGAYTRYVDNNFCGPDGYPLECIKDLLARAGKASCTLSEQLDFIDTKRGVYCCREHEHEIAWYTERSEKSYELQTPFEIKLAKKFDTFNGECPNFVFPLNSIIKTIQPRVEKKKLDGFMGRI
RSVYPVASPNECNQMCLSTLMKCDHCGETSWQTGDFVKATCEFCGTENLTKEGATTCGYLPQNAVVKIYCPACHNSEVGPEHSLAEYHNESGLKTILRKGGRTIAFGGCVFSYVGCHNKCAYWVPRASANIGCNHTGVVGEGSEGLNDNL
LEILQKEKVNINIVGDFKLNEEIAIILASFSASTSAFVETVKGLDYKAFKQIVESCGNFKVTKGKAKKGAWNIGEQKSILSPLYAFASEAARVVRSIFSRTLETAQNSVRVLQKAAITILDGISQYSLRLIDAMMFTSDLATNNLVVMAY
ITGGVVQLTSQWLTNIFGTVYEKLKPVLDWLEEKFKEGVEFLRDGWEIVKFISTCACEIVGGQIVTCAKEIKESVQTFFKLVNKFLALCADSIIIGGAKLKALNLGETFVTHSKGLYRKCVKSREETGLLMPLKAPKEIIFLEGETLPTE
VLTEEVVLKTGDLQPLEQPTSEAVEAPLVGTPVCINGLMLLEIKDTEKYCALAPNMMVTNNTFTLKGGAPTKVTFGDDTVIEVQGYKSVNITFELDERIDKVLNEKCSAYTVELGTEVNEFACVVADAVIKTLQPVSELLTPLGIDLDEW
SMATYYLFDESGEFKLASHMYCSFYPPDEDEEEGDCEEEEFEPSTQYEYGTEDDYQGKPLEFGATSAALQPEEEQEEDWLDDDSQQTVGQQDGSEDNQTTTIQTIVEVQPQLEMELTPVVQTIEVNSFSGYLKLTDNVYIKNADIVEEAK
KVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLEMKSEKQVE
QKIAEIPKEEVKPFITESKPSVEQRKQDDKKIKACVEEVTTTLEETKFLTENLLLYIDINGNLHPDSATLVSDIDITFLKKDAPYIVGDVVQEGVLTAVVIPTKKAGGTTEMLAKALRKVPTDNYITTYPGQGLNGYTVEEAKTVLKKCK
SAFYILPSIISNEKQEILGTVSWNLREMLAHAEETRKLMPVCVETKAIVSTIQRKYKGIKIQEGVVDYGARFYFYTSKTTVASLINTLNDLNETLVTMPLGYVTHGLNLEEAARYMRSLKVPATVSVSSPDAVTAYNGYLTSSSKTPEEH
FIETISLAGSYKDWSYSGQSTQLGIEFLKRGDKSVYYTSNPTTFHLDGEVITFDNLKTLLSLREVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSAL
NHTKKWKYPQVNGLTSIKWADNNCYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQ
ESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIKPVTYKLDGVVCTEIDPKLDNYYKKDNSYFTEQPIDLVPNQPYPNASFDNFKFVCDNIKFADDLNQLTGYKKP
ASRELKVTFFPDLNGDVVAIDYKHYTPSFKKGAKLLHKPIVWHVNNATNKATYKPNTWCIRCLWSTKPVETSNSFDVLKSEDAQGMDNLACEDLKPVSEEVVENPTIQKDVLECNVKTTEVVGDIILKPANNSLKITEEVGHTDLMAAYV
DNSSLTIKKPNELSRVLGLKTLATHGLAAVNSVPWDTIANYAKPFLNKVVSTTTNIVTRCLNRVCTNYMPYFFTLLLQLCTFTRSTNSRIKASMPTTIAKNTVKSVGKFCLEASFNYLKSPNFSKLINIIIWFLLLSVCLGSLIYSTAAL
GVLMSNLGMPSYCTGYREGYLNSTNVTIATYCTGSIPCSVCLSGLDSLDTYPSLETIQITISSFKWDLTAFGLVAEWFLAYILFTRFFYVLGLAAIMQLFFSYFAVHFISNSWLMWLIINLVQMAPISAMVRMYIFFASFYYVWKSYVHV
VDGCNSSTCMMCYKRNRATRVECTTIVNGVRRSFYVYANGGKGFCKLHNWNCVNCDTFCAGSTFISDEVARDLSLQFKRPINPTDQSSYIVDSVTVKNGSIHLYFDKAGQKTYERHSLSHFVNLDNLRANNTKGSLPINVIVFDGKSKCE
ESSAKSASVYYSQLMCQPILLLDQALVSDVGDSAEVAVKMFDAYVNTFSSTFNVPMEKLKTLVATAEAELAKNVSLDNVLSTFISAARQGFVDSDVETKDVVECLKLSHQSDIEVTGDSCNNYMLTYNKVENMTPRDLGACIDCSARHIN
AQVAKSHNIALIWNVKDFMSLSEQLRKQIRSAAKKNNLPFKLTCATTRQVVNVVTTKIALKGGKIVNNWLKQLIKVTLVFLFVAAIFYLITPVHVMSKHTDFSSEIIGYKAIDGGVTRDIASTDTCFANKHADFDTWFSQRGGSYTNDKA
CPLIAAVITREVGFVVPGLPGTILRTTNGDFLHFLPRVFSAVGNICYTPSKLIEYTDFATSACVLAAECTIFKDASGKPVPYCYDTNVLEGSVAYESLRPDTRYVLMDGSIIQFPNTYLEGSVRVVTTFDSEYCRHGTCERSEAGVCVST
SGRWVLNNDYYRSLPGVFCGVDAVNLLTNMFTPLIQPIGALDISASIVAGGIVAIVVTCLAYYFMRFRRAFGEYSHVVAFNTLLFLMSFTVLCLTPVYSFLPGVYSVIYLYLTFYLTNDVSFLAHIQWMVMFTPLVPFWITIAYIICIST
KHFYWFFSNYLKRRVVFNGVSFSTFEEAALCTFLLNKEMYLKLRSDVLLPLTQYNRYLALYNKYKYFSGAMDTTSYREAACCHLAKALNDFSNSGSDVLYQPPQTSITSAVLQSGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVY
CPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVD
RQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQSAVKRTIKGTHHWLLLTILTSLLVLVQSTQW
SLFFFLYENAFLPFAMGIIAMSAFAMMFVKHKHAFLCLFLLPSLATVAYFNMVYMPASWVMRIMTWLDMVDTSLSGFKLKDCVMYASAVVLLILMTARTVYDDGARRVWTLMNVLTLVYKVYYGNALDQAISMWALIISVTSNYSGVVTT
VMFLARGIVFMCVEYCPIFFITGNTLQCIMLVYCFLGYFCTCYFGLFCLLNRYFRLTLGVYDYLVSTQEFRYMNSQGLLPPKNSIDAFKLNIKLLGVGGKPCIKVATVQSKMSDVKCTSVVLLSVLQQLRVESSSKLWAQCVQLHNDILL
AKDTTEAFEKMVSLLSVLLSMQGAVDINKLCEEMLDNRATLQAIASEFSSLPSYAAFATAQEAYEQAVANGDSEVVLKKLKKSLNVAKSEFDRDAAMQRKLEKMADQAMTQMYKQARSEDKRAKVTSAMQTMLFTMLRKLDNDALNNIIN
NARDGCVPLNIIPLTTAAKLMVVIPDYNTYKNTCDGTTFTYASALWEIQQVVDADSKIVQLSEISMDNSPNLAWPLIVTALRANSAVKLQNNELSPVALRQMSCAAGTTQTACTDDNALAYYNTTKGGRFVLALLSDLQDLKWARFPKSD
GTGTIYTELEPPCRFVTDTPKGPKVKYLYFIKGLNNLNRGMVLGSLAATVRLQAGNATEVPANSTVLSFCAFAVDAAKAYKDYLASGGQPITNCVKMLCTHTGTGQAITVTPEANMDQESFGGASCCLYCRCHIDHPNPKGFCDLKGKYV
QIPTTCANDPVGFTLKNTVCTVCGMWKGYGCSCDQLREPMLQSADAQSFLNGFAV
[BLAST file for PDB] (plain) (bar) (multiple alignment) [BLAST for UniProt: (plain) (bar) (multiple alignment) (PSSM file) ]

UniProt Feature Tables [P0DTC1(R1A_WCPV)]

4405
region name description
1-4405 CHAIN /note="Replicase polyprotein 1a" /id="PRO_0000449634"
1-180 CHAIN /note="Non-structural protein 1" /id="PRO_0000449635"
181-818 CHAIN /note="Non-structural protein 2" /id="PRO_0000449636"
819-2763 CHAIN /note="Non-structural protein 3" /id="PRO_0000449637"
2764-3263 CHAIN /note="Non-structural protein 4" /id="PRO_0000449638"
3264-3569 CHAIN /note="3C-like proteinase" /id="PRO_0000449639"
3570-3859 CHAIN /note="Non-structural protein 6" /id="PRO_0000449640"
3860-3942 CHAIN /note="Non-structural protein 7" /id="PRO_0000449641"
3943-4140 CHAIN /note="Non-structural protein 8" /id="PRO_0000449642"
4141-4253 CHAIN /note="Non-structural protein 9" /id="PRO_0000449643"
4254-4392 CHAIN /note="Non-structural protein 10" /id="PRO_0000449644"
4393-4405 CHAIN /note="Non-structural protein 11" /id="PRO_0000449645"
2226-2246 TRANSMEM /note="Helical"
2318-2338 TRANSMEM /note="Helical"
2339-2359 TRANSMEM /note="Helical"
2361-2381 TRANSMEM /note="Helical"
2776-2796 TRANSMEM /note="Helical"
3045-3065 TRANSMEM /note="Helical"
3077-3097 TRANSMEM /note="Helical"
3100-3120 TRANSMEM /note="Helical"
3128-3148 TRANSMEM /note="Helical"
3165-3185 TRANSMEM /note="Helical"
3587-3607 TRANSMEM /note="Helical"
3609-3629 TRANSMEM /note="Helical"
3635-3655 TRANSMEM /note="Helical"
3674-3694 TRANSMEM /note="Helical"
3730-3750 TRANSMEM /note="Helical"
3779-3799 TRANSMEM /note="Helical"
1025-1194 DOMAIN /note="Macro"
1634-1898 DOMAIN /note="Peptidase C16"
3264-3569 DOMAIN /note="Peptidase C30"
1752-1789 ZN_FING /note="C4-type"
1674-1674 ACT_SITE /note="For PL1-PRO activity"
1835-1835 ACT_SITE /note="For PL2-PRO activity"
3304-3304 ACT_SITE /note="For 3CL-PRO activity"
3408-3408 ACT_SITE /note="For 3CL-PRO activity"
1-4405 DISORDER predicted by DISOPRED (1-17,752-770,922-1028,1193-1239,1272-1275,1300-1301,1305-1306,1308-1316,1401-1402,1404-1406,1408-1408,1492-1492,1606-1622,1877-1885,1889-1889,2025-2058,2420-2420,2544-2544,2546-2546,2550-2551,2553-2553,2569-2569,2571-2576,2578-2579,2599-2599,2608-2612,2615-2615,2619-2619,2639-2651,3258-3259,3261-3275,3451-3454,3457-3459,3569-3569,3966-3967,3969-3973,3988-4025,4111-4118,4141-4141,4143-4165,4309-4321,4384-4405)

MONOMER
4405
pdb_id a1 identity[%]2 description
6y2e A 100.0 SARS-CoV-2 (2019-nCoV) main protease
5tl6 A 82.9 R1AB_CVHSA Replicase polyprotein 1ab
2w2g A 76.3 R1A_CVHSA NON-STRUCTURAL PROTEIN 3
2ahm H 97.4 R1AB_CVHSA Replicase polyprotein 1ab, heavy chain
6w6y A 100.0 ADP ribose phosphatase (ADRP)
5nfy E 97.7 Q1T6X8_CVHSA Polyprotein 1ab
6w4b B 100.0 Nsp9 replicase protein
2k87 A 81.7 R1A_CVHSA Non-structural protein 3 of Replicase polyprotein 1a
2gdt A 86.1 R1AB_CVHSA Leader protein; p65 homolog; NSP1 (EC 3.4.22.-)
2gri A 79.3 R1AB_CVHSA NSP3
2kys A 97.6 R1A_CVHSA Non-structural protein 7
1.a1:asym_id for the homologue. 2.identity[%]2:sequence identity between the query and the homologue.
HETERO
4405 pdb_id contact mol homologue
a3 description a4 identity[%]5 Ncon6 description
6w75[4] C NSP16[292 aa] D 100.0
/100.0
22
/22
NSP10
6nur[9] B R1A_CVHSA NSP8[115 aa] C 100.0
/98.6
4
/4
R1AB_CVHSA NSP7
2ahm[10] F R1AB_CVHSA Replicase polyprotein 1ab, heavy chain[143 aa] B 100.0
/98.6
31
/31
R1AB_CVHSA Replicase polyprotein 1ab, light chain
2ahm[4] H R1AB_CVHSA Replicase polyprotein 1ab, heavy chain[191 aa] B 100.0
/98.6
4
/4
R1AB_CVHSA Replicase polyprotein 1ab, light chain
2ahm[8] F R1AB_CVHSA Replicase polyprotein 1ab, heavy chain[143 aa] C 100.0
/98.6
5
/5
R1AB_CVHSA Replicase polyprotein 1ab, light chain
3r24[1] A R1AB_CVHSA 2'-O-methyl transferase [292 aa] B 100.0
/98.3
21
/21
R1A_CVHSA Non-structural protein 10 and Non-structural prote..
2xyv[3] A R1AB_CVHSA PUTATIVE 2'-O-METHYL TRANSFERASE [285 aa] B 95.0
/97.4
20
/20
R1AB_CVHSA NON-STRUCTURAL PROTEIN 10
5c8u[10] B R1AB_CVHSA Guanine-N7 methyltransferase[514 aa] A 97.8
/97.7
45
/46
R1AB_CVHSA Non-structural protein 10
2ahm[4] D R1AB_CVHSA Replicase polyprotein 1ab, light chain[76 aa] G 100.0
/97.4
8
/8
R1AB_CVHSA Replicase polyprotein 1ab, heavy chain
2ahm[4] B R1AB_CVHSA Replicase polyprotein 1ab, light chain[77 aa] H 100.0
/97.4
3
/3
R1AB_CVHSA Replicase polyprotein 1ab, heavy chain
6nur[17] C R1AB_CVHSA NSP7[70 aa] D 100.0
/96.3
24
/24
R1A_CVHSA NSP8
2ahm[4] A R1AB_CVHSA Replicase polyprotein 1ab, light chain[77 aa] E 100.0
/97.4
5
/5
R1AB_CVHSA Replicase polyprotein 1ab, heavy chain
6nur[1] C R1AB_CVHSA NSP7[70 aa] B 100.0
/96.5
5
/5
R1A_CVHSA NSP8
5f22[1] A R1A_CVHSA Non-structural protein 7[79 aa] B 100.0
/96.5
25
/25
R1AB_CVHSA Non-structural protein
6nur[1] A R1AB_CVHSA NSP12[793 aa] D 100.0
/96.3
2
/2
R1A_CVHSA NSP8
6nur[1] A R1AB_CVHSA NSP12[793 aa] C 100.0
/98.6
15
/15
R1AB_CVHSA NSP7
6nur[1] A R1AB_CVHSA NSP12[793 aa] B 100.0
/96.5
45
/45
R1A_CVHSA NSP8
6nus[1] A R1AB_CVHSA NSP12[715 aa] B 100.0
/96.4
40
/40
R1A_CVHSA NSP8
3snd[2] C Peptide aldehyde inhibitor Ac-ESTLQ-H[2 aa] A 100.0
/96.1
12
/12
R1A_CVHSA 3C-like proteinase
3sne[2] B Peptide aldehyde inhibitor Ac-ESTLQ-H[6 aa] A 100.0
/96.1
21
/21
R1A_CVHSA 3C-like proteinase
2z3e[4] B ACE VAL Z3E LEU KCQ peptide[5 aa] A 100.0
/96.1
18
/18
R1AB_CVHSA Replicase polyprotein 1ab (pp1ab)
3vb7[1] C M4Z inhibitor[4 aa] B 100.0
/96.1
1
/1
R1A_CVHSA 3C-like proteinase
3vb7[2] C M4Z inhibitor[4 aa] A 100.0
/96.0
20
/20
R1A_CVHSA 3C-like proteinase
2z3d[2] B Inhibitor[5 aa] A 100.0
/96.1
18
/18
R1AB_CVHSA Replicase polyprotein 1ab (pp1ab)
3snc[2] B Peptide aldehyde inhibitor Ac-NSTSQ-H[6 aa] A 100.0
/96.1
18
/18
R1A_CVHSA 3C-like proteinase
3snb[2] B Peptide aldehyde inhibitor Ac-DSFDQ-H[6 aa] A 100.0
/96.1
19
/19
R1A_CVHSA 3C-like proteinase
3sna[2] B Peptide aldehyde inhibitor Ac-NSFSQ-H[6 aa] A 100.0
/96.0
17
/17
R1A_CVHSA 3C-like proteinase
1uk4[2] D 5-mer peptide of inhibitor[5 aa] B 100.0
/96.0
15
/15
R1AB_CVHSA 3C-like proteinase
1uk4[1] E 5-mer peptide of inhibitor[5 aa] B 100.0
/96.0
3
/3
R1AB_CVHSA 3C-like proteinase
5gwz[30] D N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-.. B 57.1
/46.1
21
/21
R1A_PEDV7 PEDV main protease
3iwm[6] G N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-.. D 100.0
/96.0
1
/1
R1A_CVHSA 3C-like proteinase
2q6f[1] C N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-.. B 100.0
/43.3
1
/1
Q3Y5H1_9CORO Infectious bronchitis virus (IBV) main protease
3d23[1] H N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-.. A 25.0
/49.7
4
/4
R1AB_CVHN1 3C-like proteinase
3vb6[1] D C6Z inhibitor[4 aa] A 100.0
/96.0
1
/1
R1A_CVHSA 3C-like proteinase
3vb6[2] D C6Z inhibitor[4 aa] B 100.0
/96.1
16
/16
R1A_CVHSA 3C-like proteinase
3vb4[1] C B4Z inhibitor[5 aa] B 100.0
/96.1
1
/1
R1A_CVHSA 3C-like proteinase
3vb4[4] C B4Z inhibitor[5 aa] A 100.0
/96.0
21
/21
R1A_CVHSA 3C-like proteinase
3aw0[2] B peptide ACE-SER-ALA-VAL-LEU-HIS-H[6 aa] A 100.0
/95.8
18
/18
R1A_CVHSA 3C-Like Proteinase
2q6g[1] C Polypeptide chain[11 aa] A 100.0
/95.7
24
/24
R1AB_CVHSA severe acute respiratory syndrome coronavirus (SAR..
2q6g[1] D Polypeptide chain[8 aa] B 96.0
/95.7
25
/25
R1AB_CVHSA severe acute respiratory syndrome coronavirus (SAR..
3atw[2] C peptide ACE-THR-VAL-ALC-HIS-H[5 aa] A 95.2
/95.7
21
/21
R1A_CVHSA 3C-Like Proteinase
3avz[1] B peptide ACE-SER-ALA-VAL-ALC-HIS-H[6 aa] A 94.7
/95.7
19
/19
R1A_CVHSA 3C-Like Proteinase
5tl7[2] C ISG15_MOUSE Ubiquitin-like protein ISG15[77 aa] D 91.7
/82.7
24
/24
R1AB_CVHSA Replicase polyprotein 1ab
5ynn[12] A K0BWD0_9BETC nsp16 protein[295 aa] B 85.0
/61.2
20
/20
K4LC41_9BETC nsp10 protein
4zro[4] E Bounded inhibitor of N-(tert-butoxycarbonyl)-L-ser.. A 50.0
/44.8
22
/22
R1AB_FIPV 3C-like proteinase
4rsp[2] B Peptide inhibitor[5 aa] A 70.0
/52.3
20
/20
V9TU12_9BETC Orf1a protein
5zqg[1] C PEPTIDE LEU-ALA-GLN-LEU-GLN-VAL-ALA[7 aa] A 47.6
/45.5
21
/21
R4JK63_9ALPC Non-structural protein
5nh0[2] B R1AB_CVHNL Replicase polyprotein 1ab[300 aa] C 0.0
/45.0
1
/1
R1AB_CVHNL Replicase polyprotein 1ab
5nh0[2] A R1AB_CVHNL Replicase polyprotein 1ab[299 aa] C 57.1
/45.0
7
/7
R1AB_CVHNL Replicase polyprotein 1ab
5nh0[2] C R1AB_CVHNL Replicase polyprotein 1ab[299 aa] A 50.0
/45.3
8
/8
R1AB_CVHNL Replicase polyprotein 1ab
5nh0[2] B R1AB_CVHNL Replicase polyprotein 1ab[300 aa] A 11.1
/45.3
9
/9
R1AB_CVHNL Replicase polyprotein 1ab
5nh0[2] B R1AB_CVHNL Replicase polyprotein 1ab[300 aa] A 16.7
/45.3
6
/6
R1AB_CVHNL Replicase polyprotein 1ab
5nh0[4] B R1AB_CVHNL Replicase polyprotein 1ab[300 aa] C 66.7
/45.0
33
/33
R1AB_CVHNL Replicase polyprotein 1ab
5nh0[2] C R1AB_CVHNL Replicase polyprotein 1ab[299 aa] B 0.0
/45.2
1
/1
R1AB_CVHNL Replicase polyprotein 1ab
5nh0[2] A R1AB_CVHNL Replicase polyprotein 1ab[299 aa] B 10.0
/45.2
10
/10
R1AB_CVHNL Replicase polyprotein 1ab
5nh0[2] A R1AB_CVHNL Replicase polyprotein 1ab[299 aa] B 16.7
/45.2
6
/6
R1AB_CVHNL Replicase polyprotein 1ab
1p9u[2] G PHQ-VNSTLQ-CHLOROMETHYLKETONE INHIBITOR[7 aa] B 52.6
/45.2
19
/19
R1AB_CVPPU putative coronavirus nsp2 (3CL-PRO)
4zuh[1] C peptide substrate SAVLQSGF[8 aa] A 47.8
/45.1
23
/23
K4L9I6_9ALPC PEDV 3C-Like protease
3ub0[2] E R1AB_FIPV Non-structural protein 7, nsp7[81 aa] D 30.0
/43.2
10
/10
R1AB_FIPV Non-structural protein 6, nsp6,
3ub0[2] C R1AB_FIPV Non-structural protein 7, nsp7[82 aa] A 61.3
/42.8
31
/31
R1AB_FIPV Non-structural protein 6, nsp6,
5v6a[2] B ME.2[71 aa] A 22.7
/31.4
22
/22
K0BWD0_9BETC MERS-CoV PLpro
5w8t[4] C ISG15_HUMAN Ubiquitin-like protein ISG15[77 aa] D 34.6
/31.4
26
/26
M4STU1_9BETC ORF1ab protein
5tl6[2] D ISG15_HUMAN Ubiquitin-like protein ISG15[78 aa] A 100.0
/82.9
21
/21
R1AB_CVHSA Replicase polyprotein 1ab
5e6j[2] F UBB_HUMAN Polyubiquitin-B[75 aa] D 70.0
/82.7
10
/10
R1AB_CVHSA Replicase polyprotein 1ab
5e6j[4] B UBC_HUMAN ubiquitin[76 aa] A 92.0
/82.0
25
/25
R1AB_CVHSA Replicase polyprotein 1ab
4rf1[2] B RL40_HUMAN Ubiquitin-60S ribosomal protein L40[75 aa] A 40.0
/31.6
20
/20
M4STU1_9BETC ORF1ab protein
4wur[1] B UBB_HUMAN Polyubiquitin-B[74 aa] A 39.1
/31.1
23
/23
R1AB_CVEMC Papain-like protease
3.a3:asym_id for the contact molecule. 4.a4:asym_id for the template homologue. 5.identity[%]5:sequence identity between the query and the template homologue only for the contact residues. Number after the slash / is sequence identity for all the aligned region. 6.Ncon6:number of aligned contact residues for the query. Number after the slash / is number of contact residues in the template homologue.
COMPOUND
4405 pdb_id contact mol homologue
a3 description a4 identity[%]5 Ncon6 description
5rfw[2] F T8M
1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1..
A 100.0
/100.0
10
/10
main protease
5rfv[2] E T8J
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-..
A 100.0
/100.0
11
/11
main protease
5rfu[2] F T8D
1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-..
A 100.0
/100.0
7
/7
main protease
5rft[2] E T8A
1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]e..
A 100.0
/100.0
11
/11
main protease
5rfi[2] E T71
1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}..
A 100.0
/100.0
10
/10
main protease
5rg0[2] F T8Y
1,1'-(piperazine-1,4-diyl)di(ethan-1-one)[12 atoms..
A 100.0
/100.0
9
/9
main protease
5rfz[2] E T8V
N-(2-chloropyridin-3-yl)acetamide[11 atoms]
A 100.0
/100.0
8
/8
main protease
5rfy[2] E T8S
1-acetyl-N-methyl-N-(propan-2-yl)piperidine-4-carb..
A 100.0
/100.0
10
/10
main protease
5rfx[2] E T8P
1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one[1..
A 100.0
/100.0
5
/5
main protease
5r7y[2] B JFM
N-(2-phenylethyl)methanesulfonamide[13 atoms]
A 100.0
/100.0
9
/9
SARS-CoV-2 main protease
5re5[2] E T0J
N~1~-phenylpiperidine-1,4-dicarboxamide[18 atoms]
A 100.0
/100.0
4
/4
main protease
5reh[2] E AWP
1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea[18 atoms]..
A 100.0
/100.0
7
/7
main protease
5re8[2] E T0V
1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanami..
A 100.0
/100.0
6
/6
main protease
5re7[2] E T0S
N-[(4-sulfamoylphenyl)methyl]acetamide[15 atoms]
A 100.0
/100.0
7
/7
main protease
5reb[2] E T0Y
1-[(thiophen-3-yl)methyl]piperidin-4-ol[13 atoms]
A 100.0
/100.0
9
/9
main protease
5re9[2] E LPZ
2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-y..
A 100.0
/100.0
6
/6
main protease
5dus[5] B APR
ADENOSINE-5-DIPHOSPHORIBOSE[36 atoms]
A 77.3
/44.4
22
/22
T2B9G2_9BETC ORF1a
5red[2] E JJG
4-[2-(phenylsulfanyl)ethyl]morpholine[15 atoms]
A 100.0
/100.0
5
/5
main protease
5rfj[2] E T7A
N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide[15 at..
A 100.0
/100.0
12
/12
main protease
5rfl[2] E T7G
1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxami..
A 100.0
/100.0
6
/6
main protease
5rfk[2] E T7D
N-(1-acetylpiperidin-4-yl)benzamide[18 atoms]
A 100.0
/100.0
6
/6
main protease
5rf8[2] E SFY
4-amino-N-(pyridin-2-yl)benzenesulfonamide[17 atom..
A 100.0
/100.0
5
/5
main protease
5rfm[2] E T7J
N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thioph..
A 100.0
/100.0
10
/10
main protease
5rfo[2] E T7S
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1..
A 100.0
/100.0
7
/7
main protease
5rfn[2] E T7P
N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thioph..
A 100.0
/100.0
10
/10
main protease
5rfp[2] E T7V
N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide[13 atoms..
A 100.0
/100.0
7
/7
main protease
5ren[2] E T2V
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]et..
A 100.0
/100.0
13
/13
main protease
5rfr[2] E T81
1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}..
A 100.0
/100.0
13
/13
main protease
5r84[2] B GWS
2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide[16 atoms..
A 100.0
/100.0
13
/13
SARS-CoV-2 main protease
5rf4[2] E T5Y
pyridin-2-ol[7 atoms]
A 100.0
/100.0
4
/4
main protease
5rem[2] E T2J
1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one[1..
A 100.0
/100.0
11
/11
main protease
5rel[2] E T2G
1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-..
A 100.0
/100.0
10
/10
main protease
5reo[2] E T2Y
N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide[14 at..
A 100.0
/100.0
6
/6
main protease
5re4[2] E SZY
N-(4-methylpyridin-3-yl)acetamide[11 atoms]
A 100.0
/100.0
9
/9
main protease
6w4h[1] J BDF
BETA-D-FRUCTOPYRANOSE[12 atoms]
B 100.0
/100.0
6
/6
nsp10
5ref[2] E 6SU
methyl 3-(methylsulfonylamino)benzoate[15 atoms]
A 100.0
/100.0
7
/7
main protease
5rfe[2] E JGG
N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide[..
A 100.0
/100.0
8
/8
main protease
5rfa[2] D JGY
1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-..
A 100.0
/100.0
3
/3
main protease
5rfa[2] D JGY
1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-..
A 100.0
/100.0
8
/8
main protease
5rea[2] E JGP
(azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone[18..
A 100.0
/100.0
3
/3
main protease
5rfq[2] E T7Y
N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide[16 ato..
A 100.0
/100.0
8
/8
main protease
5ree[2] E T1M
(2R,3R)-1-benzyl-2-methylpiperidin-3-ol[15 atoms]
A 100.0
/100.0
7
/7
main protease
5rf9[2] E S7D
1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-..
A 100.0
/100.0
7
/7
main protease
5rec[2] E T1J
2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol[18 a..
A 100.0
/100.0
5
/5
main protease
5rej[2] E T1V
1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan..
A 100.0
/100.0
6
/6
main protease
5rei[2] E T1S
4-[(3-chlorophenyl)methyl]morpholine[14 atoms]
A 100.0
/100.0
5
/5
main protease
5r82[2] B RZS
6-(ethylamino)pyridine-3-carbonitrile[11 atoms]
A 100.0
/100.0
7
/7
SARS-CoV-2 main protease
5rek[2] E T1Y
1-{4-[(3-fluorophenyl)sulfonyl]piperazin-1-yl}etha..
A 100.0
/100.0
8
/8
main protease
5rey[2] E T4Y
1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}et..
A 100.0
/100.0
10
/10
main protease
5rex[2] E T4V
1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan..
A 100.0
/100.0
11
/11
main protease
5rev[2] E T4J
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide[1..
A 100.0
/100.0
9
/9
main protease
5rew[2] E T4M
N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide[16 atom..
A 100.0
/100.0
9
/9
main protease
5rf5[2] E HV2
1,1-bis(oxidanylidene)thietan-3-ol[7 atoms]
A 100.0
/100.0
5
/5
main protease
5reu[2] E T4D
2-[(4-acetylpiperazin-1-yl)sulfonyl]benzonitrile[2..
A 100.0
/100.0
10
/10
main protease
5r7z[2] B HWH
~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethana..
A 100.0
/100.0
10
/10
SARS-CoV-2 main protease
5r83[2] B K0G
N-phenyl-N'-pyridin-3-ylurea[16 atoms]
A 100.0
/100.0
12
/12
SARS-CoV-2 main protease
6w63[2] B X77
N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)..
A 100.0
/100.0
16
/16
Main protease
6y2f[4] C O6K
~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxi..
A 100.0
/100.0
18
/18
SARS-CoV-2 (2019-nCoV) main protease
6y2g[1] D O6K
~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxi..
B 100.0
/100.0
1
/1
SARS-CoV-2 (2019-nCoV) main protease
5rer[2] E T3J
1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-o..
A 100.0
/100.0
10
/10
main protease
5rep[2] E T3G
1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}..
A 100.0
/100.0
6
/6
main protease
5rfc[2] E K1Y
methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbama..
A 100.0
/100.0
6
/6
main protease
5ret[2] E T47
1-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}ethan-..
A 100.0
/100.0
12
/12
main protease
5rfs[2] F T84
1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1..
A 100.0
/100.0
12
/12
main protease
5rf6[2] E NTG
5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile[15 at..
A 100.0
/100.0
9
/9
main protease
5rfh[2] E T6Y
1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl..
A 100.0
/100.0
11
/11
main protease
5rfg[2] E T6V
N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thioph..
A 100.0
/100.0
9
/9
main protease
5rff[2] E T6M
1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}etha..
A 100.0
/100.0
8
/8
main protease
5rfd[2] E T6J
2-[(methylsulfonyl)methyl]-1H-benzimidazole[14 ato..
A 100.0
/100.0
5
/5
main protease
5reg[2] E LWA
(2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carb..
A 100.0
/100.0
8
/8
main protease
4m0w[1] E NHE
2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID[13 atoms..
A 85.7
/82.3
7
/7
R1A_CVHSA Replicase polyprotein 1a
6vxs[3] H NHE
2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID[13 atoms..
B 100.0
/100.0
6
/6
ADP-ribose-1"-monophosphatase
5rez[2] E T54
(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamid..
A 100.0
/100.0
8
/8
main protease
5r80[2] B RZG
methyl 4-sulfamoylbenzoate[14 atoms]
A 100.0
/100.0
10
/10
SARS-CoV-2 main protease
5re6[2] E O0S
N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide[17 atom..
A 100.0
/100.0
5
/5
main protease
5r81[2] B RZJ
1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide..
A 100.0
/100.0
9
/9
SARS-CoV-2 main protease
5rf3[2] E T5V
pyrimidin-5-amine[7 atoms]
A 100.0
/100.0
7
/7
main protease
5rf0[2] E T5D
[1-(pyridin-2-yl)cyclopentyl]methanol[13 atoms]
A 100.0
/100.0
5
/5
main protease
5rf0[2] E T5D
[1-(pyridin-2-yl)cyclopentyl]methanol[13 atoms]
A 100.0
/100.0
4
/4
main protease
5rf1[2] E T5G
4-bromobenzene-1-sulfonamide[11 atoms]
A 100.0
/100.0
7
/7
main protease
5res[2] E T3V
1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}etha..
A 100.0
/100.0
6
/6
main protease
5rfb[2] E K3S
N-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]ethanami..
A 100.0
/100.0
4
/4
main protease
5rf7[2] E T67
1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyr..
A 100.0
/100.0
13
/13
main protease
2op9[2] C WR1
NALPHA-[(BENZYLOXY)CARBONYL]-N-[(1R)-4-HYDROXY-1-M..
A 100.0
/96.0
13
/13
R1AB_CVHSA Replicase polyprotein 1ab (pp1ab, ORF1AB) 3C-like ..
2gz8[2] B F3F
S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL] 5-(P..
A 100.0
/96.1
14
/14
R1AB_CVHSA Replicase polyprotein 1ab
5n5o[2] B 8O5
(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[[(~{E})..
A 100.0
/96.1
17
/17
R1AB_CVHSA Replicase polyprotein 1ab
6y7m[2] B OEW
~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2..
A 100.0
/96.1
20
/20
R1A_CVHSA Replicase polyprotein 1a
6fv2[5] I D03
(S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanam..
C 55.0
/45.0
20
/20
R1AB_CVHNL Replicase polyprotein 1ab
3szn[2] B G75
ETHYL (4R)-4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALA..
A 100.0
/96.1
17
/17
R1A_CVHSA 3C-like proteinase
2gx4[2] B NOL
N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-..
A 100.0
/96.1
1
/1
R1AB_CVHSA 3C-like proteinase
2gx4[2] B NOL
N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-..
A 100.0
/96.1
22
/22
R1AB_CVHSA 3C-like proteinase
2z94[2] C TLD
4-methylbenzene-1,2-dithiol[9 atoms]
A 100.0
/96.1
3
/3
R1AB_CVHSA Replicase polyprotein 1ab
2zu4[2] B ZU3
N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)..
A 100.0
/96.1
22
/22
R1A_CVHSA 3C-like proteinase
2zu4[2] B ZU3
N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)..
A 100.0
/96.1
1
/1
R1A_CVHSA 3C-like proteinase
2zu5[2] B ZU5
N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-..
A 100.0
/96.1
22
/22
R1A_CVHSA 3C-like proteinase
2zu5[2] B ZU5
N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-..
A 100.0
/96.1
1
/1
R1A_CVHSA 3C-like proteinase
3sn8[2] B S89
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-Nalpha-[(2E..
A 100.0
/96.1
15
/15
R1A_CVHSA 3C-like proteinase
2ynb[3] E G85
N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2..
B 76.0
/51.0
25
/25
R1A_BCHK4 3C-LIKE PROTEINASE
3v3m[2] B 0EN
N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)..
A 100.0
/96.1
15
/15
R1A_CVHSA 3C-like proteinase
3tit[2] B G81
ETHYL (4R)-4-{[N-(TERT-BUTOXYCARBONYL)-L-PHENYLALA..
A 100.0
/96.1
15
/15
R1A_CVHSA SARS coronavirus main protease
3tiu[2] C G82
ETHYL (5S,8S,11R)-8-BENZYL-5-(3-TERT-BUTOXY-3-OXOP..
A 100.0
/96.1
23
/23
R1A_CVHSA SARS coronavirus main protease
3tns[2] B G83
ETHYL (5S,8S,11R)-8-BENZYL-5-(2-TERT-BUTOXY-2-OXOE..
A 100.0
/96.1
1
/1
R1A_CVHSA SARS coronavirus main protease
3tns[2] B G83
ETHYL (5S,8S,11R)-8-BENZYL-5-(2-TERT-BUTOXY-2-OXOE..
A 100.0
/96.1
24
/24
R1A_CVHSA SARS coronavirus main protease
2gz7[2] B D3F
2-[(2,4-DICHLORO-5-METHYLPHENYL)SULFONYL]-1,3-DINI..
A 100.0
/96.1
13
/13
R1AB_CVHSA Replicase polyprotein 1ab
2amd[2] D 9IN
N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOX..
B 100.0
/96.0
22
/22
R1AB_CVHSA 3C-like proteinase
2d2d[2] C ENB
ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)..
A 100.0
/96.0
21
/21
R1AB_CVHSA 3C-like proteinase
2amp[2] C I12
N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VAL..
A 50.0
/45.2
18
/18
R1AB_CVPPU 3C-like proteinase
1wof[2] C I12
N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VAL..
A 100.0
/96.1
23
/23
R1AB_CVHSA 3C-like proteinase
2alv[2] B CY6
N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOP..
A 100.0
/96.0
24
/24
R1AB_CVHSA Replicase polyprotein 1ab
4mds[2] B 23H
N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)..
A 94.4
/96.0
18
/18
R1A_CVHSA 3C-like proteinase
2v6n[2] B XP1
4-(DIMETHYLAMINO)BENZOIC ACID[11 atoms]
A 100.0
/96.1
10
/10
R1AB_CVHSA REPLICASE POLYPROTEIN 1AB
2vj1[1] G XP1
4-(DIMETHYLAMINO)BENZOIC ACID[8 atoms]
B 100.0
/96.0
6
/6
A7J8L3_CVHSA SARS CORONAVIRUS MAIN PROTEINASE
2vj1[1] D BEZ
BENZOIC ACID[9 atoms]
A 100.0
/96.0
8
/8
A7J8L3_CVHSA SARS CORONAVIRUS MAIN PROTEINASE
2a5k[6] C AZP
(5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZY..
A 100.0
/96.1
24
/24
R1AB_CVHSA 3C-like peptidase
3d62[2] B 959
benzyl (2-oxopropyl)carbamate[15 atoms]
A 100.0
/96.0
10
/10
R1AB_CVHSA 3C-like proteinase
4twy[2] B 3BL
(2S)-2-({[(3S,4aR,8aS)-2-(biphenyl-4-ylcarbonyl)de..
A 88.9
/95.8
18
/18
R1AB_CVHSA 3C-like proteinase
4wy3[1] B 3X5
(2S)-2-({[(3R,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)de..
A 93.8
/95.8
16
/16
R1AB_CVHSA 3C-like proteinase
5c5n[2] B SLH
(2S)-3-(1H-imidazol-5-yl)-2-({[(3R,4aS,8aR)-2-(N-p..
A 93.3
/95.8
15
/15
R1AB_CVHSA 3C-like proteinase
4tww[2] D 3A7
(2S)-2-({[(3S,4aR,8aS)-2-(4-bromobenzoyl)decahydro..
B 87.5
/95.8
16
/16
R1AB_CVHSA 3C-like proteinase
2qiq[2] B CYV
ETHYL (4R)-4-{[(2R,5S)-5-{[N-(TERT-BUTOXYCARBONYL)..
A 100.0
/95.7
23
/23
R1AB_CVHSA Replicase polyprotein 1ab
5c5o[2] D SDJ
(2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-p..
B 88.9
/95.7
18
/18
R1AB_CVHSA 3C-like proteinase
3e9s[1] B TTT
5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]be..
A 100.0
/82.7
10
/10
R1A_CVHSA Non-structural protein 3
3mj5[2] C GRM
N-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-1-naphthale..
B 100.0
/81.3
4
/4
R1A_CVHSA Replicase polyprotein 1a
3mj5[2] E GRM
N-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-1-naphthale..
B 100.0
/81.3
11
/11
R1A_CVHSA Replicase polyprotein 1a
4ovz[2] G P85
N-[(4-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-..
B 100.0
/81.3
11
/11
R1A_CVHSA Papain-like proteinase
4ow0[2] D S88
N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-..
A 100.0
/82.6
10
/10
R1A_CVHSA papain-like protease
5wkm[2] B N02
(1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpi..
A 76.9
/52.9
13
/13
A0A1L2E0X0_9BETC Orf1a protein
5wkk[2] D AW4
(1S,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}..
A 66.7
/52.7
18
/18
A0A1L2E0X0_9BETC Orf1a protein
5wkl[2] B AVY
(1R,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)p..
A 80.0
/52.5
15
/15
A0A1L2E0X0_9BETC Orf1a protein
5wkj[2] D B1S
(1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino..
A 73.3
/52.5
15
/15
A0A1L2E0X0_9BETC Orf1a protein
4ylu[4] K R30
N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylme..
D 100.0
/52.2
1
/1
A0A0A7E693_9BETC ORF1a protein
4ylu[4] M R30
N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylme..
D 63.2
/52.2
19
/19
A0A0A7E693_9BETC ORF1a protein
4yo9[2] G SIN
SUCCINIC ACID[8 atoms]
B 50.0
/51.2
4
/4
R1AB_BCHK4 3C-like proteinase
4yog[1] G 4F5
N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)..
B 100.0
/51.0
1
/1
R1AB_BCHK4 3C-like proteinase
4yog[2] K 4F5
N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)..
B 64.3
/51.0
14
/14
R1AB_BCHK4 3C-like proteinase
4yoi[2] I 4F4
N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylme..
B 63.2
/51.0
19
/19
R1AB_BCHK4 3C-like proteinase
4yoj[2] C RFM
N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylme..
A 57.9
/51.0
19
/19
R1AB_BCHK4 3C-like proteinase
4yoj[1] F RFM
N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylme..
A 100.0
/51.0
1
/1
R1AB_BCHK4 3C-like proteinase
5zub[2] B NAD
NICOTINAMIDE-ADENINE-DINUCLEOTIDE[44 atoms]
A 77.3
/44.4
22
/22
T2B9G2_9BETC ORF1a
6men[1] D ADQ
ADENOSINE-5'-DIPHOSPHATE-GLUCOSE[38 atoms]
B 88.2
/48.8
17
/18
R1AB_BCHK4 Replicase polyprotein 1ab
5nh0[6] H 8X8
~{tert}-butyl ~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxi..
C 56.2
/45.0
16
/16
R1AB_CVHNL Replicase polyprotein 1ab
6fv1[3] I E8E
(2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-..
B 42.1
/45.0
19
/19
R1AB_CVHNL Replicase polyprotein 1ab
4f49[4] F K36
(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino..
B 56.2
/45.1
16
/16
R1A_CVPPU 3C-like proteinase
6w6y[1] C AMP
ADENOSINE MONOPHOSPHATE[23 atoms]
A 100.0
/100.0
16
/16
ADP ribose phosphatase (ADRP)
5zu7[1] B AMP
ADENOSINE MONOPHOSPHATE[23 atoms]
A 61.5
/44.4
13
/13
T2B9G2_9BETC ORF1a
5zu9[1] B ADP
ADENOSINE-5'-DIPHOSPHATE[27 atoms]
A 66.7
/44.4
15
/15
T2B9G2_9BETC ORF1a
5zua[1] B ATP
ADENOSINE-5'-TRIPHOSPHATE[31 atoms]
A 61.5
/44.4
13
/13
T2B9G2_9BETC ORF1a
3.a3:asym_id for the contact molecule. 4.a4:asym_id for the template homologue. 5.identity[%]5:sequence identity between the query and the template homologue only for the contact residues. Number after the slash / is sequence identity for all the aligned region. 6.Ncon6:number of aligned contact residues for the query. Number after the slash / is number of contact residues in the template homologue.
METAL
4405 pdb_id contact mol homologue
a3 description a4 identity[%]5 Ncon6 description
5ynf[76] D ZN
ZINC ION[1 atoms]
B 100.0
/60.0
4
/4
K4LC41_9BETC nsp10 protein
5c8u[6] E ZN
ZINC ION[1 atoms]
A 100.0
/97.7
4
/4
R1AB_CVHSA Non-structural protein 10
4ow0[30] H ZN
ZINC ION[1 atoms]
B 80.0
/81.1
5
/5
R1A_CVHSA papain-like protease
2g9t[63] BA ZN
ZINC ION[1 atoms]
B 100.0
/98.3
4
/4
Q692E5_CVHSA orf1a polyprotein
5c8u[11] L ZN
ZINC ION[1 atoms]
C 100.0
/97.7
5
/5
R1AB_CVHSA Non-structural protein 10
5eu8[2] C ZN
ZINC ION[1 atoms]
A 100.0
/44.7
3
/3
V9PIT1_9ALPC main protease
4p16[5] B ZN
ZINC ION[1 atoms]
A 100.0
/31.5
4
/4
K4LC41_9BETC ORF1a
5w8t[4] P ZN
ZINC ION[1 atoms]
D 100.0
/31.4
4
/4
M4STU1_9BETC ORF1ab protein
6w4h[4] H ZN
ZINC ION[1 atoms]
B 100.0
/100.0
4
/4
nsp10
6w75[4] IA ZN
ZINC ION[1 atoms]
D 100.0
/100.0
4
/4
NSP10
2fyg[1] B ZN
ZINC ION[1 atoms]
A 100.0
/98.4
4
/4
Q6JH39_CVHSA Replicase polyprotein 1ab
6w61[1] I ZN
ZINC ION[1 atoms]
B 100.0
/100.0
4
/4
Stimulatory factor NSP10
6w61[1] H ZN
ZINC ION[1 atoms]
B 100.0
/100.0
4
/4
Stimulatory factor NSP10
5w8t[2] G ZN
ZINC ION[1 atoms]
B 0.0
/31.4
1
/1
M4STU1_9BETC ORF1ab protein
2z9g[2] B HG
MERCURY (II) ION[1 atoms]
A 100.0
/96.1
4
/4
R1AB_CVHSA 3C-like proteinase
1uk4[2] G ATO
CHLOROACETONE[1 atoms]
B 100.0
/96.0
4
/4
R1AB_CVHSA 3C-like proteinase
2fe8[6] G BR
BROMIDE ION[1 atoms]
A 100.0
/82.8
4
/4
R1AB_CVHSA Replicase polyprotein 1ab
2fe8[6] F BR
BROMIDE ION[1 atoms]
A 100.0
/82.8
3
/3
R1AB_CVHSA Replicase polyprotein 1ab
2fe8[6] O BR
BROMIDE ION[1 atoms]
C 75.0
/82.7
4
/4
R1AB_CVHSA Replicase polyprotein 1ab
4ovz[3] H NA
SODIUM ION[1 atoms]
B 100.0
/81.3
5
/5
R1A_CVHSA Papain-like proteinase
5y3e[2] E NA
SODIUM ION[1 atoms]
A 83.3
/82.8
6
/6
R1A_CVHSA Replicase polyprotein 1a
5y3q[2] G NA
SODIUM ION[1 atoms]
A 100.0
/82.8
3
/3
R1A_CVHSA Replicase polyprotein 1a
5y3q[2] E NA
SODIUM ION[1 atoms]
A 40.0
/82.8
5
/5
R1A_CVHSA Replicase polyprotein 1a
5y3q[2] H NA
SODIUM ION[1 atoms]
A 100.0
/82.8
7
/7
R1A_CVHSA Replicase polyprotein 1a
6w75[1] R NA
SODIUM ION[1 atoms]
B 100.0
/100.0
2
/2
NSP10
6w75[1] JA NA
SODIUM ION[1 atoms]
D 100.0
/100.0
2
/2
NSP10
4m0w[1] D NA
SODIUM ION[1 atoms]
A 20.0
/82.3
5
/5
R1A_CVHSA Replicase polyprotein 1a
5wkj[2] C CA
CALCIUM ION[1 atoms]
A 100.0
/52.5
1
/1
A0A1L2E0X0_9BETC Orf1a protein
2yna[3] C NI
NICKEL (II) ION[1 atoms]
A 100.0
/51.0
3
/3
R1A_BCHK4 3C-LIKE PROTEINASE
5e6j[1] H NI
NICKEL (II) ION[1 atoms]
A 0.0
/82.0
2
/2
R1AB_CVHSA Replicase polyprotein 1ab
2ynb[1] D NI
NICKEL (II) ION[1 atoms]
A 0.0
/51.0
1
/1
R1A_BCHK4 3C-LIKE PROTEINASE
5r83[2] F CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
6
/6
SARS-CoV-2 main protease
2a5a[4] B CL
CHLORIDE ION[1 atoms]
A 100.0
/96.1
2
/2
R1AB_CVHSA 3C-like peptidase
5r83[4] K CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
2
/2
SARS-CoV-2 main protease
2xyv[3] N CL
CHLORIDE ION[1 atoms]
B 50.0
/97.4
2
/2
R1AB_CVHSA NON-STRUCTURAL PROTEIN 10
5r7y[2] G CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
4
/4
SARS-CoV-2 main protease
5r83[2] I CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
4
/4
SARS-CoV-2 main protease
5v6a[1] F CL
CHLORIDE ION[1 atoms]
A 100.0
/31.4
2
/2
K0BWD0_9BETC MERS-CoV PLpro
3e9s[1] E CL
CHLORIDE ION[1 atoms]
A 75.0
/82.7
4
/4
R1A_CVHSA Non-structural protein 3
5r83[2] H CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
5
/5
SARS-CoV-2 main protease
5r83[2] G CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
1
/1
SARS-CoV-2 main protease
3e9s[1] D CL
CHLORIDE ION[1 atoms]
A 100.0
/82.7
2
/2
R1A_CVHSA Non-structural protein 3
5v6a[1] I CL
CHLORIDE ION[1 atoms]
A 50.0
/31.4
2
/2
K0BWD0_9BETC MERS-CoV PLpro
3.a3:asym_id for the contact molecule. 4.a4:asym_id for the template homologue. 5.identity[%]5:sequence identity between the query and the template homologue only for the contact residues. Number after the slash / is sequence identity for all the aligned region. 6.Ncon6:number of aligned contact residues for the query. Number after the slash / is number of contact residues in the template homologue.
HOMO
4405 pdb_id contact mol homologue
a3 description a4 identity[%]5 Ncon6 description
2ahm[8] A R1AB_CVHSA Replicase polyprotein 1ab, light chain[77 aa] D 100.0
/98.6
4
/4
R1AB_CVHSA Replicase polyprotein 1ab, light chain
2g9t[96] K Q692E5_CVHSA orf1a polyprotein[118 aa] B 100.0
/98.3
7
/7
Q692E5_CVHSA orf1a polyprotein
2g9t[48] J Q692E5_CVHSA orf1a polyprotein[118 aa] C 100.0
/98.3
6
/6
Q692E5_CVHSA orf1a polyprotein
2g9t[48] P Q692E5_CVHSA orf1a polyprotein[118 aa] W 100.0
/98.3
7
/7
Q692E5_CVHSA orf1a polyprotein
2g9t[48] I Q692E5_CVHSA orf1a polyprotein[118 aa] J 100.0
/98.3
6
/6
Q692E5_CVHSA orf1a polyprotein
2ahm[12] E R1AB_CVHSA Replicase polyprotein 1ab, heavy chain[155 aa] E 100.0
/97.4
19
/19
R1AB_CVHSA Replicase polyprotein 1ab, heavy chain
2ahm[4] G R1AB_CVHSA Replicase polyprotein 1ab, heavy chain[191 aa] E 100.0
/97.4
8
/8
R1AB_CVHSA Replicase polyprotein 1ab, heavy chain
2ahm[6] H R1AB_CVHSA Replicase polyprotein 1ab, heavy chain[191 aa] E 100.0
/97.4
5
/5
R1AB_CVHSA Replicase polyprotein 1ab, heavy chain
2ahm[4] E R1AB_CVHSA Replicase polyprotein 1ab, heavy chain[155 aa] G 100.0
/97.4
7
/7
R1AB_CVHSA Replicase polyprotein 1ab, heavy chain
2ahm[2] E R1AB_CVHSA Replicase polyprotein 1ab, heavy chain[155 aa] H 100.0
/97.4
7
/7
R1AB_CVHSA Replicase polyprotein 1ab, heavy chain
1qz8[10] B R1AB_CVHSA polyprotein 1ab[110 aa] A 100.0
/97.3
17
/17
R1AB_CVHSA polyprotein 1ab
1uw7[2] A R1AB_CVHSA NSP9[122 aa] A 100.0
/97.3
21
/24
R1AB_CVHSA NSP9
1qz8[2] A R1AB_CVHSA polyprotein 1ab[111 aa] A 100.0
/97.3
6
/6
R1AB_CVHSA polyprotein 1ab
3ebn[4] D R1AB_CVHSA Replicase polyprotein 1ab[101 aa] B 94.9
/96.0
59
/59
R1AB_CVHSA Replicase polyprotein 1ab
5rf1[338] A main protease[304 aa] A 100.0
/100.0
37
/37
main protease
3iwm[8] A R1A_CVHSA 3C-like proteinase[301 aa] B 0.0
/96.0
2
/2
R1A_CVHSA 3C-like proteinase
3iwm[8] A R1A_CVHSA 3C-like proteinase[301 aa] C 97.2
/96.0
72
/72
R1A_CVHSA 3C-like proteinase
3iwm[4] C R1A_CVHSA 3C-like proteinase[300 aa] C 100.0
/96.0
7
/7
R1A_CVHSA 3C-like proteinase
2gtb[2] A R1AB_CVHSA 3C-like proteinase[299 aa] A 100.0
/96.0
2
/2
R1AB_CVHSA 3C-like proteinase
3iwm[8] B R1A_CVHSA 3C-like proteinase[301 aa] C 100.0
/96.0
4
/4
R1A_CVHSA 3C-like proteinase
3iwm[8] B R1A_CVHSA 3C-like proteinase[301 aa] C 100.0
/96.0
4
/4
R1A_CVHSA 3C-like proteinase
2z3e[2] A R1AB_CVHSA Replicase polyprotein 1ab (pp1ab)[306 aa] A 80.0
/96.1
5
/5
R1AB_CVHSA Replicase polyprotein 1ab (pp1ab)
2fe8[8] C R1AB_CVHSA Replicase polyprotein 1ab[313 aa] A 77.8
/82.8
18
/18
R1AB_CVHSA Replicase polyprotein 1ab
2fe8[6] B R1AB_CVHSA Replicase polyprotein 1ab[314 aa] A 87.0
/82.8
23
/23
R1AB_CVHSA Replicase polyprotein 1ab
2fe8[6] B R1AB_CVHSA Replicase polyprotein 1ab[314 aa] A 75.0
/82.8
8
/9
R1AB_CVHSA Replicase polyprotein 1ab
2wct[6] C R1A_CVHSA NON-STRUCTURAL PROTEIN 3[252 aa] B 79.2
/76.3
24
/24
R1A_CVHSA NON-STRUCTURAL PROTEIN 3
4rsp[18] A V9TU12_9BETC Orf1a protein[304 aa] A 69.7
/52.3
33
/33
V9TU12_9BETC Orf1a protein
4wmf[1] A W6A941_9BETC MERS-CoV 3CL protease[304 aa] C 60.0
/52.3
10
/10
W6A941_9BETC MERS-CoV 3CL protease
5wkj[8] A A0A1L2E0X0_9BETC Orf1a protein[302 aa] A 60.0
/52.5
30
/31
A0A1L2E0X0_9BETC Orf1a protein
4wmf[1] C W6A941_9BETC MERS-CoV 3CL protease[289 aa] A 54.5
/51.7
22
/22
W6A941_9BETC MERS-CoV 3CL protease
4yoi[12] A R1AB_BCHK4 3C-like proteinase[306 aa] B 73.3
/51.0
30
/30
R1AB_BCHK4 3C-like proteinase
3d23[1] A R1AB_CVHN1 3C-like proteinase[301 aa] D 75.0
/49.5
8
/8
R1AB_CVHN1 3C-like proteinase
3d23[1] D R1AB_CVHN1 3C-like proteinase[299 aa] A 37.5
/49.7
8
/8
R1AB_CVHN1 3C-like proteinase
3d23[4] D R1AB_CVHN1 3C-like proteinase[299 aa] A 58.6
/49.7
29
/30
R1AB_CVHN1 3C-like proteinase
3d23[1] A R1AB_CVHN1 3C-like proteinase[301 aa] C 14.3
/49.3
7
/7
R1AB_CVHN1 3C-like proteinase
3d23[1] D R1AB_CVHN1 3C-like proteinase[299 aa] C 0.0
/49.3
1
/1
R1AB_CVHN1 3C-like proteinase
3d23[1] C R1AB_CVHN1 3C-like proteinase[298 aa] D 100.0
/49.5
1
/1
R1AB_CVHN1 3C-like proteinase
3d23[1] C R1AB_CVHN1 3C-like proteinase[298 aa] A 12.5
/49.7
8
/8
R1AB_CVHN1 3C-like proteinase
5gwz[2] B R1A_PEDV7 PEDV main protease[299 aa] A 58.3
/46.1
24
/24
R1A_PEDV7 PEDV main protease
5hyo[8] A A0A075EBR7_9ALPC PEDV 3CLpro[301 aa] B 63.2
/45.7
38
/38
A0A075EBR7_9ALPC PEDV 3CLpro
1lvo[18] C R1AB_CVPPU Replicase, hydrolase domain[300 aa] D 73.3
/44.9
30
/30
R1AB_CVPPU Replicase, hydrolase domain
1lvo[4] E R1AB_CVPPU Replicase, hydrolase domain[299 aa] D 9.1
/44.9
11
/11
R1AB_CVPPU Replicase, hydrolase domain
1lvo[4] C R1AB_CVPPU Replicase, hydrolase domain[300 aa] F 100.0
/45.2
3
/3
R1AB_CVPPU Replicase, hydrolase domain
5nh0[6] A R1AB_CVHNL Replicase polyprotein 1ab[299 aa] A 71.0
/45.3
31
/31
R1AB_CVHNL Replicase polyprotein 1ab
5nh0[2] C R1AB_CVHNL Replicase polyprotein 1ab[299 aa] C 25.0
/45.0
8
/8
R1AB_CVHNL Replicase polyprotein 1ab
4zro[2] A R1AB_FIPV 3C-like proteinase[299 aa] B 71.4
/44.8
28
/28
R1AB_FIPV 3C-like proteinase
4zro[1] A R1AB_FIPV 3C-like proteinase[299 aa] C 33.3
/44.8
3
/3
R1AB_FIPV 3C-like proteinase
4zro[3] C R1AB_FIPV 3C-like proteinase[299 aa] D 16.7
/44.8
12
/12
R1AB_FIPV 3C-like proteinase
4zro[1] A R1AB_FIPV 3C-like proteinase[299 aa] D 12.5
/44.8
16
/16
R1AB_FIPV 3C-like proteinase
5eu8[2] A V9PIT1_9ALPC main protease[300 aa] A 73.9
/44.7
23
/23
V9PIT1_9ALPC main protease
4zro[1] C R1AB_FIPV 3C-like proteinase[299 aa] A 0.0
/44.8
4
/4
R1AB_FIPV 3C-like proteinase
2q6f[4] B Q3Y5H1_9CORO Infectious bronchitis virus (IBV) main protease[29.. A 51.7
/43.3
29
/30
Q3Y5H1_9CORO Infectious bronchitis virus (IBV) main protease
2zu2[2] B R1A_CVH22 3C-like proteinase[301 aa] A 60.6
/41.9
33
/33
R1A_CVH22 3C-like proteinase
4pt5[4] A K4LC41_9BETC Papain-like protease[321 aa] A 26.5
/31.3
34
/34
K4LC41_9BETC Papain-like protease
4p16[2] A K4LC41_9BETC ORF1a[315 aa] A 28.6
/31.5
28
/28
K4LC41_9BETC ORF1a
3.a3:asym_id for the contact molecule. 4.a4:asym_id for the template homologue. 5.identity[%]5:sequence identity between the query and the template homologue only for the contact residues. Number after the slash / is sequence identity for all the aligned region. 6.Ncon6:number of aligned contact residues for the query. Number after the slash / is number of contact residues in the template homologue.
PRECIPITANT
4405 pdb_id contact mol homologue
a3 description a4 identity[%]5 Ncon6 description
5rf1[158] C DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
5
/5
main protease
5rf1[154] B DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
3
/3
main protease
5rf7[144] D DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
4
/4
main protease
5rej[37] F DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
8
/8
main protease
5rf9[159] C DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
1
/1
main protease
4ow0[1] J DMS
DIMETHYL SULFOXIDE[4 atoms]
B 50.0
/81.1
2
/2
R1A_CVHSA papain-like protease
5n19[10] C DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/96.1
3
/3
R1AB_CVHSA SARS coronavirus main protease
5rfw[16] E DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
6
/6
main protease
5reg[20] C DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
3
/3
main protease
5ret[6] F DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
1
/1
main protease
5nh0[3] E DMS
DIMETHYL SULFOXIDE[4 atoms]
A 0.0
/45.3
4
/4
R1AB_CVHNL Replicase polyprotein 1ab
5rec[4] F DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
5
/5
main protease
4ovz[1] L DMS
DIMETHYL SULFOXIDE[4 atoms]
B 66.7
/81.3
6
/6
R1A_CVHSA Papain-like proteinase
5reh[10] F DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
8
/8
main protease
5nh0[4] K DMS
DIMETHYL SULFOXIDE[4 atoms]
C 100.0
/45.0
1
/1
R1AB_CVHNL Replicase polyprotein 1ab
2vj1[1] F DMS
DIMETHYL SULFOXIDE[4 atoms]
B 100.0
/96.0
3
/3
A7J8L3_CVHSA SARS CORONAVIRUS MAIN PROTEINASE
4zro[1] I DMS
DIMETHYL SULFOXIDE[4 atoms]
B 100.0
/44.8
1
/1
R1AB_FIPV 3C-like proteinase
3tiu[2] B DMS
DIMETHYL SULFOXIDE[4 atoms]
A 83.3
/96.1
6
/6
R1A_CVHSA SARS coronavirus main protease
4ow0[1] G DMS
DIMETHYL SULFOXIDE[4 atoms]
A 60.0
/82.6
5
/5
R1A_CVHSA papain-like protease
4ovz[1] J DMS
DIMETHYL SULFOXIDE[4 atoms]
B 100.0
/81.3
3
/3
R1A_CVHSA Papain-like proteinase
2vj1[1] C DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/96.0
1
/1
A7J8L3_CVHSA SARS CORONAVIRUS MAIN PROTEINASE
2vj1[2] E DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/96.0
3
/3
A7J8L3_CVHSA SARS CORONAVIRUS MAIN PROTEINASE
6yb7[3] H DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/99.7
2
/2
SARS-CoV-2 main protease
4zro[1] J DMS
DIMETHYL SULFOXIDE[4 atoms]
B 0.0
/44.8
1
/1
R1AB_FIPV 3C-like proteinase
6y2g[1] C GLY
GLYCINE[4 atoms]
B 100.0
/100.0
1
/1
SARS-CoV-2 (2019-nCoV) main protease
6y2g[1] C GLY
GLYCINE[4 atoms]
A 100.0
/100.0
2
/2
SARS-CoV-2 (2019-nCoV) main protease
5rf2[2] E HVB
1-azanylpropylideneazanium[5 atoms]
A 100.0
/100.0
5
/5
main protease
3ee7[1] P PO4
PHOSPHATE ION[5 atoms]
D 100.0
/96.3
1
/1
R1A_CVHSA Replicase polyprotein 1a
3ee7[6] F PO4
PHOSPHATE ION[5 atoms]
A 100.0
/96.2
1
/1
R1A_CVHSA Replicase polyprotein 1a
4rna[4] F PO4
PHOSPHATE ION[5 atoms]
A 33.3
/31.3
3
/3
K4LC41_9BETC papain-like protease
4rna[2] E PO4
PHOSPHATE ION[5 atoms]
A 28.6
/31.3
7
/7
K4LC41_9BETC papain-like protease
3ee7[5] V PO4
PHOSPHATE ION[5 atoms]
D 75.0
/96.3
4
/4
R1A_CVHSA Replicase polyprotein 1a
4rna[2] D PO4
PHOSPHATE ION[5 atoms]
A 16.7
/31.3
6
/6
K4LC41_9BETC papain-like protease
4rna[2] F PO4
PHOSPHATE ION[5 atoms]
A 50.0
/31.3
2
/2
K4LC41_9BETC papain-like protease
3ee7[1] M PO4
PHOSPHATE ION[5 atoms]
B 66.7
/96.3
3
/3
R1A_CVHSA Replicase polyprotein 1a
2z9g[2] C BNZ
BENZENE[6 atoms]
A 100.0
/96.1
7
/7
R1AB_CVHSA 3C-like proteinase
2z9k[2] E DOZ
(dimethylamino)(hydroxy)zinc'[5 atoms]
A 100.0
/96.1
5
/5
R1AB_CVHSA 3C-like proteinase
4wmf[3] J PEG
DI(HYDROXYETHYL)ETHER[7 atoms]
B 66.7
/51.8
3
/3
W6A941_9BETC MERS-CoV 3CL protease
4wmf[1] F PEG
DI(HYDROXYETHYL)ETHER[7 atoms]
A 33.3
/51.7
3
/3
W6A941_9BETC MERS-CoV 3CL protease
4wmf[6] D PEG
DI(HYDROXYETHYL)ETHER[7 atoms]
A 25.0
/51.7
4
/4
W6A941_9BETC MERS-CoV 3CL protease
3vb3[2] C PEG
DI(HYDROXYETHYL)ETHER[7 atoms]
A 100.0
/96.0
4
/4
R1A_CVHSA 3C-like proteinase
3tlo[1] D PEG
DI(HYDROXYETHYL)ETHER[7 atoms]
A 50.0
/44.9
6
/6
R1A_CVHNL 3C-like proteinase
3vb4[2] J EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/96.0
2
/2
R1A_CVHSA 3C-like proteinase
3vb3[1] F EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/96.0
6
/6
R1A_CVHSA 3C-like proteinase
3vb3[2] D EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/96.0
5
/5
R1A_CVHSA 3C-like proteinase
3vb4[1] G EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/96.0
2
/2
R1A_CVHSA 3C-like proteinase
3vb3[7] H EDO
1,2-ETHANEDIOL[4 atoms]
A 83.3
/96.0
6
/6
R1A_CVHSA 3C-like proteinase
4wme[2] T EDO
1,2-ETHANEDIOL[4 atoms]
D 33.3
/51.7
6
/6
W6A941_9BETC MERS-CoV 3CL protease
3vb4[6] H EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/96.1
5
/5
R1A_CVHSA 3C-like proteinase
4wme[3] E EDO
1,2-ETHANEDIOL[4 atoms]
A 33.3
/51.7
6
/6
W6A941_9BETC MERS-CoV 3CL protease
4wme[1] G EDO
1,2-ETHANEDIOL[4 atoms]
A 50.0
/51.7
4
/4
W6A941_9BETC MERS-CoV 3CL protease
4wme[1] H EDO
1,2-ETHANEDIOL[4 atoms]
A 50.0
/51.7
4
/4
W6A941_9BETC MERS-CoV 3CL protease
6vxs[1] G EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/100.0
1
/1
ADP-ribose-1"-monophosphatase
3vb7[3] G EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/96.1
5
/5
R1A_CVHSA 3C-like proteinase
4wme[12] L EDO
1,2-ETHANEDIOL[4 atoms]
B 33.3
/51.8
6
/6
W6A941_9BETC MERS-CoV 3CL protease
3vb5[3] E EDO
1,2-ETHANEDIOL[4 atoms]
A 50.0
/96.0
4
/4
R1A_CVHSA 3C-like proteinase
3vb7[3] E EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/96.0
3
/3
R1A_CVHSA 3C-like proteinase
3vb4[1] L EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/96.1
5
/5
R1A_CVHSA 3C-like proteinase
4wme[1] R EDO
1,2-ETHANEDIOL[4 atoms]
C 0.0
/51.7
3
/3
W6A941_9BETC MERS-CoV 3CL protease
3vb3[1] I EDO
1,2-ETHANEDIOL[4 atoms]
B 66.7
/96.1
3
/3
R1A_CVHSA 3C-like proteinase
6w02[1] D EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/100.0
1
/1
ADP ribose phosphatase
4wme[1] K EDO
1,2-ETHANEDIOL[4 atoms]
A 60.0
/51.7
5
/5
W6A941_9BETC MERS-CoV 3CL protease
4wme[1] I EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/51.7
4
/7
W6A941_9BETC MERS-CoV 3CL protease
6w61[1] G EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/100.0
3
/3
Stimulatory factor NSP10
2v6n[4] C MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID[12 atoms]
A 80.0
/96.1
5
/5
R1AB_CVHSA REPLICASE POLYPROTEIN 1AB
6w6y[1] D MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID[12 atoms]
B 100.0
/100.0
11
/11
ADP ribose phosphatase (ADRP)
2gt7[1] C MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID[12 atoms]
B 100.0
/96.0
1
/1
R1AB_CVHSA 3C-like proteinase
2z9l[2] E DAZ
diaminozinc[3 atoms]
A 100.0
/96.3
2
/2
R1AB_CVHSA 3C-like proteinase
2gtb[2] C ACY
ACETIC ACID[4 atoms]
A 100.0
/96.0
5
/5
R1AB_CVHSA 3C-like proteinase
5y3q[1] C BME
BETA-MERCAPTOETHANOL[4 atoms]
A 100.0
/82.8
6
/6
R1A_CVHSA Replicase polyprotein 1a
1lvo[20] RA SO4
SULFATE ION[5 atoms]
F 100.0
/45.2
2
/2
R1AB_CVPPU Replicase, hydrolase domain
1qz8[4] D SO4
SULFATE ION[5 atoms]
A 100.0
/97.3
1
/1
R1AB_CVHSA polyprotein 1ab
1qz8[8] D SO4
SULFATE ION[5 atoms]
A 100.0
/97.3
1
/1
R1AB_CVHSA polyprotein 1ab
1p9u[2] P SO4
SULFATE ION[5 atoms]
B 20.0
/45.2
5
/5
R1AB_CVPPU putative coronavirus nsp2 (3CL-PRO)
1lvo[15] H SO4
SULFATE ION[5 atoms]
A 66.7
/45.2
3
/3
R1AB_CVPPU Replicase, hydrolase domain
1lvo[6] SA SO4
SULFATE ION[5 atoms]
F 33.3
/45.2
3
/3
R1AB_CVPPU Replicase, hydrolase domain
1lvo[4] HA SO4
SULFATE ION[5 atoms]
C 100.0
/45.2
2
/2
R1AB_CVPPU Replicase, hydrolase domain
1qz8[2] F SO4
SULFATE ION[5 atoms]
B 50.0
/97.3
2
/2
R1AB_CVHSA polyprotein 1ab
1lvo[16] EA SO4
SULFATE ION[5 atoms]
D 25.0
/44.9
4
/4
R1AB_CVPPU Replicase, hydrolase domain
1lvo[3] J SO4
SULFATE ION[5 atoms]
A 0.0
/45.2
2
/2
R1AB_CVPPU Replicase, hydrolase domain
5dus[1] D SO4
SULFATE ION[5 atoms]
A 0.0
/44.4
2
/2
T2B9G2_9BETC ORF1a
6vxs[2] I SO4
SULFATE ION[5 atoms]
B 100.0
/100.0
5
/5
ADP-ribose-1"-monophosphatase
6vxs[2] F SO4
SULFATE ION[5 atoms]
B 100.0
/100.0
3
/3
ADP-ribose-1"-monophosphatase
1p9u[4] Z SO4
SULFATE ION[5 atoms]
D 33.3
/44.9
3
/3
R1AB_CVPPU putative coronavirus nsp2 (3CL-PRO)
2w2g[3] D SO4
SULFATE ION[5 atoms]
B 33.3
/75.0
3
/3
R1A_CVHSA NON-STRUCTURAL PROTEIN 3
4rf0[1] J SO4
SULFATE ION[5 atoms]
A 25.0
/31.4
4
/4
M4STU1_9BETC ORF1ab protein
4rf0[2] L SO4
SULFATE ION[5 atoms]
A 0.0
/31.4
2
/2
M4STU1_9BETC ORF1ab protein
4rf0[1] H SO4
SULFATE ION[5 atoms]
A 0.0
/31.4
5
/5
M4STU1_9BETC ORF1ab protein
2fe8[10] M SO4
SULFATE ION[5 atoms]
B 100.0
/82.7
4
/4
R1AB_CVHSA Replicase polyprotein 1ab
4rf0[1] E SO4
SULFATE ION[5 atoms]
A 25.0
/31.4
4
/4
M4STU1_9BETC ORF1ab protein
1lvo[3] K SO4
SULFATE ION[5 atoms]
A 0.0
/45.2
4
/4
R1AB_CVPPU Replicase, hydrolase domain
5tl6[1] F SO4
SULFATE ION[5 atoms]
A 100.0
/82.9
3
/3
R1AB_CVHSA Replicase polyprotein 1ab
2v6n[2] D SO4
SULFATE ION[5 atoms]
A 100.0
/96.1
2
/2
R1AB_CVHSA REPLICASE POLYPROTEIN 1AB
1qz8[2] E SO4
SULFATE ION[5 atoms]
A 66.7
/97.3
3
/3
R1AB_CVHSA polyprotein 1ab
5dus[1] E SO4
SULFATE ION[5 atoms]
A 66.7
/44.4
3
/3
T2B9G2_9BETC ORF1a
5dus[1] C SO4
SULFATE ION[5 atoms]
A 0.0
/44.4
1
/1
T2B9G2_9BETC ORF1a
4rf0[1] D SO4
SULFATE ION[5 atoms]
A 100.0
/31.4
2
/2
M4STU1_9BETC ORF1ab protein
4rf0[1] F SO4
SULFATE ION[5 atoms]
A 33.3
/31.4
6
/6
M4STU1_9BETC ORF1ab protein
2acf[9] H GOL
GLYCEROL[6 atoms]
B 100.0
/72.9
9
/9
Replicase polyprotein 1ab
2a5i[37] D GOL
GLYCEROL[6 atoms]
A 100.0
/96.1
6
/6
R1AB_CVHSA 3C-like peptidase
2yna[3] I GOL
GLYCEROL[6 atoms]
A 33.3
/51.0
3
/3
R1A_BCHK4 3C-LIKE PROTEINASE
4ow0[1] F GOL
GLYCEROL[6 atoms]
A 66.7
/82.6
3
/3
R1A_CVHSA papain-like protease
3ee7[6] K GOL
GLYCEROL[6 atoms]
A 100.0
/96.2
3
/3
R1A_CVHSA Replicase polyprotein 1a
2ahm[4] I GOL
GLYCEROL[6 atoms]
A 100.0
/98.6
2
/2
R1AB_CVHSA Replicase polyprotein 1ab, light chain
2yna[2] H GOL
GLYCEROL[6 atoms]
B 20.0
/51.0
5
/5
R1A_BCHK4 3C-LIKE PROTEINASE
5dus[1] F GOL
GLYCEROL[6 atoms]
A 25.0
/44.4
4
/4
T2B9G2_9BETC ORF1a
3tlo[4] F GOL
GLYCEROL[6 atoms]
A 100.0
/44.9
1
/1
R1A_CVHNL 3C-like proteinase
6fv1[2] K GOL
GLYCEROL[6 atoms]
B 100.0
/45.0
1
/1
R1AB_CVHNL Replicase polyprotein 1ab
5y3e[1] J GOL
GLYCEROL[6 atoms]
A 100.0
/82.8
5
/5
R1A_CVHSA Replicase polyprotein 1a
3ee7[1] BA GOL
GLYCEROL[6 atoms]
D 100.0
/96.3
2
/2
R1A_CVHSA Replicase polyprotein 1a
5y3q[2] J GOL
GLYCEROL[6 atoms]
A 100.0
/82.8
6
/6
R1A_CVHSA Replicase polyprotein 1a
5y3q[3] I GOL
GLYCEROL[6 atoms]
A 66.7
/82.8
6
/6
R1A_CVHSA Replicase polyprotein 1a
2ahm[7] I GOL
GLYCEROL[6 atoms]
E 100.0
/97.4
2
/2
R1AB_CVHSA Replicase polyprotein 1ab, heavy chain
3ee7[1] T GOL
GLYCEROL[6 atoms]
C 100.0
/96.3
2
/2
R1A_CVHSA Replicase polyprotein 1a
2z3e[2] D GOL
GLYCEROL[6 atoms]
A 100.0
/96.1
4
/4
R1AB_CVHSA Replicase polyprotein 1ab (pp1ab)
4m0w[6] G GOL
GLYCEROL[6 atoms]
A 100.0
/82.3
5
/5
R1A_CVHSA Replicase polyprotein 1a
2ahm[6] L GOL
GLYCEROL[6 atoms]
F 100.0
/97.2
1
/1
R1AB_CVHSA Replicase polyprotein 1ab, heavy chain
3ee7[1] J GOL
GLYCEROL[6 atoms]
A 100.0
/96.2
6
/6
R1A_CVHSA Replicase polyprotein 1a
5dus[1] G GOL
GLYCEROL[6 atoms]
A 0.0
/44.4
3
/3
T2B9G2_9BETC ORF1a
3ee7[1] X GOL
GLYCEROL[6 atoms]
D 100.0
/96.3
4
/4
R1A_CVHSA Replicase polyprotein 1a
3vb4[1] K GOL
GLYCEROL[6 atoms]
B 100.0
/96.1
4
/4
R1A_CVHSA 3C-like proteinase
3vb7[1] H GOL
GLYCEROL[6 atoms]
B 83.3
/96.1
6
/6
R1A_CVHSA 3C-like proteinase
2fyg[1] D GOL
GLYCEROL[6 atoms]
A 100.0
/98.4
8
/8
Q6JH39_CVHSA Replicase polyprotein 1ab
3tlo[1] E GOL
GLYCEROL[6 atoms]
A 0.0
/44.9
5
/5
R1A_CVHNL 3C-like proteinase
2acf[1] J GOL
GLYCEROL[6 atoms]
C 100.0
/72.9
7
/7
Replicase polyprotein 1ab
4wmf[3] L PG4
TETRAETHYLENE GLYCOL[13 atoms]
B 25.0
/51.8
4
/4
W6A941_9BETC MERS-CoV 3CL protease
4wmf[3] H PG4
TETRAETHYLENE GLYCOL[13 atoms]
B 50.0
/51.8
2
/2
W6A941_9BETC MERS-CoV 3CL protease
4wmf[1] G PG4
TETRAETHYLENE GLYCOL[13 atoms]
B 66.7
/51.8
12
/12
W6A941_9BETC MERS-CoV 3CL protease
4wmf[1] N PG4
TETRAETHYLENE GLYCOL[12 atoms]
C 50.0
/52.3
4
/4
W6A941_9BETC MERS-CoV 3CL protease
5wkk[2] B PG4
TETRAETHYLENE GLYCOL[13 atoms]
A 25.0
/52.7
4
/4
A0A1L2E0X0_9BETC Orf1a protein
5wkk[2] B PG4
TETRAETHYLENE GLYCOL[13 atoms]
A 50.0
/52.7
2
/2
A0A1L2E0X0_9BETC Orf1a protein
4f49[1] I PG4
TETRAETHYLENE GLYCOL[13 atoms]
D 0.0
/44.8
4
/4
R1A_CVPPU 3C-like proteinase
4wmf[1] K PG4
TETRAETHYLENE GLYCOL[13 atoms]
B 60.0
/51.8
5
/5
W6A941_9BETC MERS-CoV 3CL protease
4ylu[11] G ACT
ACETATE ION[4 atoms]
A 50.0
/52.2
2
/2
A0A0A7E693_9BETC ORF1a protein
4yog[3] I ACT
ACETATE ION[4 atoms]
B 50.0
/51.0
2
/2
R1AB_BCHK4 3C-like proteinase
4yoi[1] D ACT
ACETATE ION[4 atoms]
A 66.7
/51.0
3
/3
R1AB_BCHK4 3C-like proteinase
4yo9[1] E ACT
ACETATE ION[4 atoms]
A 100.0
/51.0
4
/4
R1AB_BCHK4 3C-like proteinase
4yog[1] E ACT
ACETATE ION[4 atoms]
A 0.0
/51.0
1
/1
R1AB_BCHK4 3C-like proteinase
4yog[1] D ACT
ACETATE ION[4 atoms]
A 100.0
/51.0
3
/3
R1AB_BCHK4 3C-like proteinase
4yo9[2] J ACT
ACETATE ION[4 atoms]
B 0.0
/51.2
2
/3
R1AB_BCHK4 3C-like proteinase
4ylu[2] J ACT
ACETATE ION[4 atoms]
B 100.0
/52.0
2
/2
A0A0A7E693_9BETC ORF1a protein
4yog[1] C ACT
ACETATE ION[4 atoms]
B 0.0
/51.0
1
/1
R1AB_BCHK4 3C-like proteinase
4ylu[2] F ACT
ACETATE ION[4 atoms]
A 20.0
/52.2
5
/5
A0A0A7E693_9BETC ORF1a protein
4wmd[3] J PGE
TRIETHYLENE GLYCOL[10 atoms]
C 80.0
/51.8
10
/10
W6A941_9BETC ORF1a
4wmd[2] H 1PE
PENTAETHYLENE GLYCOL[16 atoms]
C 50.0
/51.8
2
/2
W6A941_9BETC ORF1a
4wmd[2] H 1PE
PENTAETHYLENE GLYCOL[16 atoms]
C 50.0
/51.8
6
/6
W6A941_9BETC ORF1a
4yoi[1] F FMT
FORMIC ACID[3 atoms]
A 66.7
/51.0
6
/6
R1AB_BCHK4 3C-like proteinase
6w75[1] KA FMT
FORMIC ACID[3 atoms]
D 100.0
/100.0
2
/2
NSP10
4yoj[2] H FMT
FORMIC ACID[3 atoms]
B 0.0
/51.0
2
/2
R1AB_BCHK4 3C-like proteinase
4yoi[1] H FMT
FORMIC ACID[3 atoms]
A 50.0
/51.0
2
/2
R1AB_BCHK4 3C-like proteinase
4yo9[1] M FMT
FORMIC ACID[3 atoms]
B 66.7
/51.2
3
/3
R1AB_BCHK4 3C-like proteinase
2yna[1] D IMD
IMIDAZOLE[5 atoms]
A 100.0
/51.0
3
/3
R1A_BCHK4 3C-LIKE PROTEINASE
4wur[1] C IPA
ISOPROPYL ALCOHOL[4 atoms]
A 16.7
/31.1
6
/6
R1AB_CVEMC Papain-like protease
5hyo[1] J IPA
ISOPROPYL ALCOHOL[4 atoms]
B 44.4
/45.7
9
/9
A0A075EBR7_9ALPC PEDV 3CLpro
5hyo[2] C IPA
ISOPROPYL ALCOHOL[4 atoms]
A 100.0
/45.7
1
/1
A0A075EBR7_9ALPC PEDV 3CLpro
4yo9[1] L IPA
ISOPROPYL ALCOHOL[4 atoms]
B 50.0
/51.2
8
/8
R1AB_BCHK4 3C-like proteinase
5hyo[1] G IPA
ISOPROPYL ALCOHOL[4 atoms]
A 20.0
/45.7
5
/5
A0A075EBR7_9ALPC PEDV 3CLpro
4wur[1] D IPA
ISOPROPYL ALCOHOL[4 atoms]
A 33.3
/31.1
3
/3
R1AB_CVEMC Papain-like protease
5hyo[1] K IPA
ISOPROPYL ALCOHOL[4 atoms]
B 33.3
/45.7
3
/3
A0A075EBR7_9ALPC PEDV 3CLpro
4yo9[1] K IPA
ISOPROPYL ALCOHOL[4 atoms]
B 0.0
/51.2
2
/2
R1AB_BCHK4 3C-like proteinase
5hyo[1] D IPA
ISOPROPYL ALCOHOL[4 atoms]
A 0.0
/45.7
2
/2
A0A075EBR7_9ALPC PEDV 3CLpro
5hyo[1] F IPA
ISOPROPYL ALCOHOL[4 atoms]
A 20.0
/45.7
5
/5
A0A075EBR7_9ALPC PEDV 3CLpro
4yo9[1] F IPA
ISOPROPYL ALCOHOL[4 atoms]
A 0.0
/51.0
1
/1
R1AB_BCHK4 3C-like proteinase
1lvo[2] OA DIO
1,4-DIETHYLENE DIOXIDE[6 atoms]
F 100.0
/45.2
2
/2
R1AB_CVPPU Replicase, hydrolase domain
1lvo[4] UA DIO
1,4-DIETHYLENE DIOXIDE[6 atoms]
F 100.0
/45.2
4
/4
R1AB_CVPPU Replicase, hydrolase domain
1p9s[2] C DIO
1,4-DIETHYLENE DIOXIDE[6 atoms]
A 50.0
/41.9
4
/4
R1AB_CVH22 Replicase polyprotein 1ab
1lvo[2] BA DIO
1,4-DIETHYLENE DIOXIDE[6 atoms]
D 100.0
/44.9
3
/3
R1AB_CVPPU Replicase, hydrolase domain
1lvo[1] M DIO
1,4-DIETHYLENE DIOXIDE[6 atoms]
A 33.3
/45.2
6
/6
R1AB_CVPPU Replicase, hydrolase domain
1lvo[1] T DIO
1,4-DIETHYLENE DIOXIDE[6 atoms]
B 57.1
/45.2
7
/7
R1AB_CVPPU Replicase, hydrolase domain
1lvo[3] OA DIO
1,4-DIETHYLENE DIOXIDE[6 atoms]
E 0.0
/45.2
1
/1
R1AB_CVPPU Replicase, hydrolase domain
1lvo[1] L DIO
1,4-DIETHYLENE DIOXIDE[6 atoms]
A 33.3
/45.2
6
/6
R1AB_CVPPU Replicase, hydrolase domain
1lvo[2] AA DIO
1,4-DIETHYLENE DIOXIDE[6 atoms]
C 0.0
/45.2
4
/4
R1AB_CVPPU Replicase, hydrolase domain
1lvo[2] BA DIO
1,4-DIETHYLENE DIOXIDE[6 atoms]
C 100.0
/45.2
1
/1
R1AB_CVPPU Replicase, hydrolase domain
1p9u[14] U MRD
(4R)-2-METHYLPENTANE-2,4-DIOL[8 atoms]
C 37.5
/45.2
8
/8
R1AB_CVPPU putative coronavirus nsp2 (3CL-PRO)
1lvo[1] PA MRD
(4R)-2-METHYLPENTANE-2,4-DIOL[8 atoms]
D 0.0
/44.9
1
/1
R1AB_CVPPU Replicase, hydrolase domain
3snd[1] E MRD
(4R)-2-METHYLPENTANE-2,4-DIOL[8 atoms]
A 83.3
/96.1
6
/6
R1A_CVHSA 3C-like proteinase
5w8u[3] I MPD
(4S)-2-METHYL-2,4-PENTANEDIOL[8 atoms]
A 20.0
/31.4
5
/5
M4STU1_9BETC ORF1ab protein
5hyo[3] L MPD
(4S)-2-METHYL-2,4-PENTANEDIOL[8 atoms]
B 60.0
/45.7
10
/10
A0A075EBR7_9ALPC PEDV 3CLpro
5w8u[4] Q MPD
(4S)-2-METHYL-2,4-PENTANEDIOL[8 atoms]
C 50.0
/31.4
4
/4
M4STU1_9BETC ORF1ab protein
5w8t[4] N MPD
(4S)-2-METHYL-2,4-PENTANEDIOL[8 atoms]
D 0.0
/31.4
3
/3
M4STU1_9BETC ORF1ab protein
5hyo[1] H MPD
(4S)-2-METHYL-2,4-PENTANEDIOL[8 atoms]
A 55.6
/45.7
9
/9
A0A075EBR7_9ALPC PEDV 3CLpro
2zu2[2] C MPD
(4S)-2-METHYL-2,4-PENTANEDIOL[8 atoms]
B 0.0
/41.7
1
/1
R1A_CVH22 3C-like proteinase
1q2w[1] C MPD
(4S)-2-METHYL-2,4-PENTANEDIOL[8 atoms]
A 80.0
/96.3
5
/5
R1A_CVHSA 3C-like protease
5w8u[2] S MPD
(4S)-2-METHYL-2,4-PENTANEDIOL[8 atoms]
C 0.0
/31.4
2
/3
M4STU1_9BETC ORF1ab protein
4yo9[1] H MPD
(4S)-2-METHYL-2,4-PENTANEDIOL[8 atoms]
A 0.0
/51.0
3
/3
R1AB_BCHK4 3C-like proteinase
2z9j[4] E DTZ
zinc(II)hydrogensulfide[3 atoms]
A 100.0
/96.0
4
/4
R1AB_CVHSA 3C-like proteinase
4rez[3] E PGO
S-1,2-PROPANEDIOL[5 atoms]
A 25.0
/31.9
4
/4
M4STU1_9BETC ORF1ab protein
4rez[1] C PGO
S-1,2-PROPANEDIOL[5 atoms]
A 20.0
/31.9
5
/5
M4STU1_9BETC ORF1ab protein
4rf1[1] E PGO
S-1,2-PROPANEDIOL[5 atoms]
A 50.0
/31.6
6
/6
M4STU1_9BETC ORF1ab protein
4rf1[2] D PGO
S-1,2-PROPANEDIOL[5 atoms]
A 33.3
/31.6
9
/9
M4STU1_9BETC ORF1ab protein
5v69[1] G PGO
S-1,2-PROPANEDIOL[5 atoms]
A 75.0
/31.4
8
/8
K0BWD0_9BETC MERS-CoV PLpro
5v69[1] F PGO
S-1,2-PROPANEDIOL[5 atoms]
A 33.3
/31.4
3
/3
K0BWD0_9BETC MERS-CoV PLpro
4rf1[1] H PGO
S-1,2-PROPANEDIOL[5 atoms]
A 0.0
/31.6
2
/2
M4STU1_9BETC ORF1ab protein
4rf1[2] I 3CN
3-AMINOPROPANE[4 atoms]
A 80.0
/31.6
5
/5
M4STU1_9BETC ORF1ab protein
5v6a[1] D FLC
CITRATE ANION[13 atoms]
A 25.0
/31.4
4
/5
K0BWD0_9BETC MERS-CoV PLpro
5v6a[1] E FLC
CITRATE ANION[13 atoms]
A 0.0
/31.4
1
/1
K0BWD0_9BETC MERS-CoV PLpro
5w8u[4] H AYE
prop-2-en-1-amine[4 atoms]
A 66.7
/31.4
6
/6
M4STU1_9BETC ORF1ab protein
3.a3:asym_id for the contact molecule. 4.a4:asym_id for the template homologue. 5.identity[%]5:sequence identity between the query and the template homologue only for the contact residues. Number after the slash / is sequence identity for all the aligned region. 6.Ncon6:number of aligned contact residues for the query. Number after the slash / is number of contact residues in the template homologue.