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PID QueryLength Homolgous Sequence in PDB UniProt Query TITLE
48830 306 321 YP_009725301.1(YP_009725301.1) RecName: Full=3C-like proteinase
QUERYSEQ
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGF
NIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQC
SGVTFQ
[BLAST file for PDB] (plain) (bar) (multiple alignment) [BLAST for UniProt: (plain) (bar) (multiple alignment) (PSSM file) ]

UniProt Feature Tables [YP_009725301.1(YP_009725301.1)]

306
region name description
1-8 DISORDER predicted by DISOPRED (1-6,8-8)

MONOMER
306
pdb_id a1 identity[%]2 description
6y2e A 100.0 SARS-CoV-2 (2019-nCoV) main protease
1.a1:asym_id for the homologue. 2.identity[%]2:sequence identity between the query and the homologue.
HETERO
306 pdb_id contact mol homologue
a3 description a4 identity[%]5 Ncon6 description
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[2] C M4Z inhibitor[4 aa] A 100.0
/96.0
20
/20
R1A_CVHSA 3C-like proteinase
3vb7[1] C M4Z inhibitor[4 aa] B 100.0
/96.1
1
/1
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[1] E 5-mer peptide of inhibitor[5 aa] B 100.0
/96.0
3
/3
R1AB_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
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
3d23[1] H N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-.. A 25.0
/49.7
4
/4
R1AB_CVHN1 3C-like proteinase
2q6f[1] C N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-.. B 100.0
/43.6
1
/1
Q3Y5H1_9CORO Infectious bronchitis virus (IBV) main protease
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
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] 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] 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] 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
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
306 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
5r7y[2] B JFM
N-(2-phenylethyl)methanesulfonamide[13 atoms]
A 100.0
/100.0
9
/9
SARS-CoV-2 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
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
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
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
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
5res[2] E T3V
1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}etha..
A 100.0
/100.0
6
/6
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
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
5rf4[2] E T5Y
pyridin-2-ol[7 atoms]
A 100.0
/100.0
4
/4
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
4
/4
main protease
5rf0[2] E T5D
[1-(pyridin-2-yl)cyclopentyl]methanol[13 atoms]
A 100.0
/100.0
5
/5
main protease
5rf1[2] E T5G
4-bromobenzene-1-sulfonamide[11 atoms]
A 100.0
/100.0
7
/7
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
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
4mds[2] B 23H
N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)..
A 94.4
/95.7
18
/18
R1A_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
5wkm[2] B N02
(1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpi..
A 76.9
/53.1
13
/13
A0A1L2E0X0_9BETC Orf1a protein
5wkk[2] D AW4
(1S,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}..
A 66.7
/52.9
18
/18
A0A1L2E0X0_9BETC Orf1a protein
5wkl[2] B AVY
(1R,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)p..
A 80.0
/52.7
15
/15
A0A1L2E0X0_9BETC Orf1a protein
5wkj[2] D B1S
(1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino..
A 73.3
/52.7
15
/15
A0A1L2E0X0_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
4ylu[4] K R30
N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylme..
D 100.0
/52.2
1
/1
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
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
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
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
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
306 pdb_id contact mol homologue
a3 description a4 identity[%]5 Ncon6 description
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
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
5r83[2] F CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
6
/6
SARS-CoV-2 main protease
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
5eu8[2] C ZN
ZINC ION[1 atoms]
A 100.0
/44.8
3
/3
V9PIT1_9ALPC main protease
2z94[3] B ZN
ZINC ION[1 atoms]
A 100.0
/96.1
2
/2
R1AB_CVHSA Replicase polyprotein 1ab
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
5wkj[2] C CA
CALCIUM ION[1 atoms]
A 100.0
/52.7
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
2ynb[1] D NI
NICKEL (II) ION[1 atoms]
A 0.0
/51.0
1
/1
R1A_BCHK4 3C-LIKE PROTEINASE
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
306 pdb_id contact mol homologue
a3 description a4 identity[%]5 Ncon6 description
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] 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] D R1A_CVHSA 3C-like proteinase[300 aa] C 0.0
/96.0
2
/2
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
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)
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 62.1
/52.7
29
/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[4] A R1AB_CVHN1 3C-like proteinase[301 aa] D 48.3
/49.5
29
/29
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[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
1p9u[18] A R1AB_CVPPU putative coronavirus nsp2 (3CL-PRO)[299 aa] B 68.8
/45.2
32
/32
R1AB_CVPPU putative coronavirus nsp2 (3CL-PRO)
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
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 77.3
/44.8
22
/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
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
2q6d[4] B Q3Y5H1_9CORO Infectious bronchitis virus (IBV) main protease[30.. A 46.9
/43.4
32
/32
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
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
306 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
5rf1[158] C DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
1
/1
main protease
5rf7[144] D DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
4
/4
main protease
5rej[34] F DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
8
/8
main protease
5rfp[16] F DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
5
/5
main protease
5n19[10] C DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/96.1
3
/3
R1AB_CVHSA SARS coronavirus 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
6y7m[10] C DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/96.1
5
/5
R1A_CVHSA Replicase polyprotein 1a
5rec[4] F DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
5
/5
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
3tiu[2] B DMS
DIMETHYL SULFOXIDE[4 atoms]
A 83.3
/96.1
6
/6
R1A_CVHSA SARS coronavirus main protease
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] I DMS
DIMETHYL SULFOXIDE[4 atoms]
B 100.0
/44.8
1
/1
R1AB_FIPV 3C-like proteinase
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
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
2yna[2] I GOL
GLYCEROL[6 atoms]
A 33.3
/51.0
3
/3
R1A_BCHK4 3C-LIKE PROTEINASE
2z3c[31] C GOL
GLYCEROL[6 atoms]
A 100.0
/96.1
5
/5
R1AB_CVHSA Replicase polyprotein 1ab (pp1ab)
2yna[1] H GOL
GLYCEROL[6 atoms]
B 20.0
/51.0
5
/5
R1A_BCHK4 3C-LIKE PROTEINASE
3tlo[4] F GOL
GLYCEROL[6 atoms]
A 100.0
/44.9
1
/1
R1A_CVHNL 3C-like proteinase
6fv1[1] K GOL
GLYCEROL[6 atoms]
B 100.0
/45.0
1
/1
R1AB_CVHNL Replicase polyprotein 1ab
2z3e[2] D GOL
GLYCEROL[6 atoms]
A 100.0
/96.1
4
/4
R1AB_CVHSA Replicase polyprotein 1ab (pp1ab)
3vb4[1] K GOL
GLYCEROL[6 atoms]
B 100.0
/96.1
4
/4
R1A_CVHSA 3C-like proteinase
6fv1[2] L GOL
GLYCEROL[6 atoms]
B 100.0
/45.0
2
/2
R1AB_CVHNL Replicase polyprotein 1ab
3vb7[1] H GOL
GLYCEROL[6 atoms]
B 83.3
/96.1
6
/6
R1A_CVHSA 3C-like proteinase
3tlo[1] E GOL
GLYCEROL[6 atoms]
A 0.0
/44.9
5
/5
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
3vb4[1] L 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
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
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
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
3sne[4] C MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID[12 atoms]
A 80.0
/96.1
5
/5
R1A_CVHSA 3C-like proteinase
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
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
5wkk[2] B PG4
TETRAETHYLENE GLYCOL[13 atoms]
A 25.0
/52.9
4
/4
A0A1L2E0X0_9BETC Orf1a protein
5wkk[2] B PG4
TETRAETHYLENE GLYCOL[13 atoms]
A 50.0
/52.9
2
/2
A0A1L2E0X0_9BETC Orf1a protein
4f49[1] I PG4
TETRAETHYLENE GLYCOL[13 atoms]
D 0.0
/45.0
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
4wmf[1] N PG4
TETRAETHYLENE GLYCOL[12 atoms]
C 50.0
/52.3
4
/4
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[2] J ACT
ACETATE ION[4 atoms]
B 0.0
/51.2
2
/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
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[1] 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
2yna[1] D IMD
IMIDAZOLE[5 atoms]
A 100.0
/51.0
3
/3
R1A_BCHK4 3C-LIKE PROTEINASE
4yoi[1] F FMT
FORMIC ACID[3 atoms]
A 66.7
/51.0
6
/6
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
4yoi[2] G FMT
FORMIC ACID[3 atoms]
A 33.3
/51.0
3
/3
R1AB_BCHK4 3C-like proteinase
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
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] 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
5hyo[1] D IPA
ISOPROPYL ALCOHOL[4 atoms]
A 0.0
/45.7
2
/2
A0A075EBR7_9ALPC PEDV 3CLpro
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
1lvo[20] RA SO4
SULFATE ION[5 atoms]
F 100.0
/45.2
2
/2
R1AB_CVPPU Replicase, hydrolase domain
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
1lvo[16] EA SO4
SULFATE ION[5 atoms]
D 25.0
/44.9
4
/4
R1AB_CVPPU Replicase, hydrolase domain
1lvo[2] J SO4
SULFATE ION[5 atoms]
A 0.0
/45.2
2
/2
R1AB_CVPPU Replicase, hydrolase domain
1p9u[4] Z SO4
SULFATE ION[5 atoms]
D 33.3
/44.9
3
/3
R1AB_CVPPU putative coronavirus nsp2 (3CL-PRO)
1lvo[3] K SO4
SULFATE ION[5 atoms]
A 0.0
/45.2
4
/4
R1AB_CVPPU Replicase, hydrolase domain
2v6n[2] D SO4
SULFATE ION[5 atoms]
A 100.0
/96.1
2
/2
R1AB_CVHSA REPLICASE POLYPROTEIN 1AB
1p9u[1] Q SO4
SULFATE ION[5 atoms]
C 0.0
/45.2
3
/3
R1AB_CVPPU putative coronavirus nsp2 (3CL-PRO)
1lvo[2] V SO4
SULFATE ION[5 atoms]
C 0.0
/45.2
2
/2
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
5hyo[2] L MPD
(4S)-2-METHYL-2,4-PENTANEDIOL[8 atoms]
B 60.0
/45.7
10
/10
A0A075EBR7_9ALPC PEDV 3CLpro
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
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
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.