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PID QueryLength Homolgous Sequence in PDB UniProt Query TITLE
56766 306 213 YP_009725301.1()
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()]

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

MONOMER
306
pdb_id a1 identity[%]2 description
6xbi A 100.0 R1AB_SARS2 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
6xa4[6] B inhibitor UAW241[4 aa] A 100.0
/100.0
15
/15
R1AB_SARS2 main protease
6xbh[2] B inhibitor UAW247[3 aa] A 100.0
/100.0
17
/17
R1AB_SARS2 main protease
6xbi[2] C inhibitor UAW248[5 aa] A 100.0
/100.0
20
/20
R1AB_SARS2 main protease
7c8b[1] B Z-VAD(OMe)-FMK[5 aa] A 100.0
/100.0
17
/17
R1AB_SARS2 3C-like proteinase
6xfn[4] B UAW243[4 aa] A 100.0
/100.0
14
/14
R1AB_SARS2 main protease
7bqy[4] B N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-.. A 100.0
/100.0
21
/21
R1AB_SARS2 main protease
6lu7[2] B N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-.. A 100.0
/100.0
1
/1
R1AB_SARS2 main 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
5rha[4] B T8M
1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1..
A 100.0
/100.0
11
/11
R1AB_SARS2 3C-like proteinase
5rfv[2] E T8J
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-..
A 100.0
/100.0
11
/11
R1AB_SARS2 3C-like proteinase
5r7y[2] B JFM
N-(2-phenylethyl)methanesulfonamide[13 atoms]
A 100.0
/100.0
9
/9
R1AB_SARS2 3C-like proteinase
7brp[2] D HU5
(1R,2S,5S)-N-[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,..
B 100.0
/100.0
16
/16
R1A_SARS2 3C-like proteinase
5rfu[2] F T8D
1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-..
A 100.0
/100.0
7
/7
R1AB_SARS2 3C-like proteinase
5rft[2] E T8A
1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]e..
A 100.0
/100.0
11
/11
R1AB_SARS2 3C-like proteinase
5rfi[2] E T71
1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}..
A 100.0
/100.0
10
/10
R1AB_SARS2 3C-like proteinase
5rg0[2] F T8Y
1,1'-(piperazine-1,4-diyl)di(ethan-1-one)[12 atoms..
A 100.0
/100.0
9
/9
R1AB_SARS2 3C-like proteinase
5rfz[2] E T8V
N-(2-chloropyridin-3-yl)acetamide[11 atoms]
A 100.0
/100.0
8
/8
R1AB_SARS2 3C-like proteinase
7jkv[4] D V7G
N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hy..
B 100.0
/100.0
18
/18
R1AB_SARS2 3C-like proteinase
5rfy[2] E T8S
1-acetyl-N-methyl-N-(propan-2-yl)piperidine-4-carb..
A 100.0
/100.0
10
/10
R1AB_SARS2 3C-like proteinase
5rfx[2] E T8P
1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one[1..
A 100.0
/100.0
5
/5
R1AB_SARS2 3C-like proteinase
5rh9[2] F UJ4
N-{4-[(1S)-1-methoxyethyl]phenyl}-N-[(1R)-2-[(4-me..
A 100.0
/100.0
19
/19
R1AB_SARS2 3C-like proteinase
5re5[2] E T0J
N~1~-phenylpiperidine-1,4-dicarboxamide[18 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase
6xqt[6] D NNA
(1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cy..
B 100.0
/100.0
23
/23
R1AB_SARS2 3C-like proteinase
5reh[2] E AWP
1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea[18 atoms]..
A 100.0
/100.0
7
/7
R1AB_SARS2 3C-like proteinase
5re8[2] E T0V
1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanami..
A 100.0
/100.0
6
/6
R1AB_SARS2 3C-like proteinase
5re7[2] E T0S
N-[(4-sulfamoylphenyl)methyl]acetamide[15 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 3C-like proteinase
6xqs[9] B SV6
(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyr..
A 100.0
/100.0
19
/19
R1AB_SARS2 3C-like proteinase
5reb[2] E T0Y
1-[(thiophen-3-yl)methyl]piperidin-4-ol[13 atoms]
A 100.0
/100.0
9
/9
R1AB_SARS2 3C-like proteinase
6z2e[2] B Q5T
(4~{S})-4-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[3-[..
A 100.0
/100.0
21
/21
R1AB_SARS2 Main Protease
5rgp[2] E U1M
1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}..
A 100.0
/100.0
10
/10
R1AB_SARS2 3C-like proteinase
7c6s[12] B U5G
boceprevir (bound form)[37 atoms]
A 100.0
/100.0
17
/17
R1AB_SARS2 3C-like proteinase
5red[2] E JJG
4-[2-(phenylsulfanyl)ethyl]morpholine[15 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 3C-like proteinase
5rfj[2] E T7A
N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide[15 at..
A 100.0
/100.0
12
/12
R1AB_SARS2 3C-like proteinase
5rfl[2] E T7G
1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxami..
A 100.0
/100.0
6
/6
R1AB_SARS2 3C-like proteinase
5rfk[2] E T7D
N-(1-acetylpiperidin-4-yl)benzamide[18 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 3C-like proteinase
5rf8[2] E SFY
4-amino-N-(pyridin-2-yl)benzenesulfonamide[17 atom..
A 100.0
/100.0
5
/5
R1AB_SARS2 3C-like proteinase
5rfm[2] E T7J
N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thioph..
A 100.0
/100.0
10
/10
R1AB_SARS2 3C-like proteinase
6xmk[2] D QYS
(1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]ca..
B 100.0
/100.0
18
/18
R1AB_SARS2 3C-like proteinase
5rh1[2] B UGV
2-(5-chlorothiophen-2-yl)-N-(pyridin-3-yl)acetamid..
A 100.0
/100.0
12
/12
R1AB_SARS2 3C-like proteinase
5rfo[2] E T7S
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1..
A 100.0
/100.0
7
/7
R1AB_SARS2 3C-like proteinase
5rfn[2] E T7P
N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thioph..
A 100.0
/100.0
10
/10
R1AB_SARS2 3C-like proteinase
5rfp[2] E T7V
N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide[13 atoms..
A 100.0
/100.0
7
/7
R1AB_SARS2 3C-like proteinase
5rfs[2] F T84
1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1..
A 100.0
/100.0
12
/12
R1AB_SARS2 3C-like proteinase
5rfr[2] E T81
1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}..
A 100.0
/100.0
13
/13
R1AB_SARS2 3C-like proteinase
5r80[2] E RZG
methyl 4-sulfamoylbenzoate[14 atoms]
A 100.0
/100.0
9
/9
R1AB_SARS2 3C-like proteinase
5r84[2] B GWS
2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide[16 atoms..
A 100.0
/100.0
13
/13
R1AB_SARS2 3C-like proteinase
7c8r[2] B TG3
ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-met..
A 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
7c8r[2] B TG3
ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-met..
A 100.0
/100.0
23
/23
R1AB_SARS2 3C-like proteinase
5rh2[2] B UH7
2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)acetami..
A 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
5rh0[2] B UH4
N-(5-methylthiophen-2-yl)-N'-pyridin-3-ylurea[16 a..
A 100.0
/100.0
11
/11
R1AB_SARS2 3C-like proteinase
5rgz[2] B UH1
2-(3-cyanophenyl)-N-(pyridin-3-yl)acetamide[18 ato..
A 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
5rem[2] E T2J
1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one[1..
A 100.0
/100.0
11
/11
R1AB_SARS2 3C-like proteinase
5rgw[2] B UGM
2-(5-cyanopyridin-3-yl)-N-(pyridin-3-yl)acetamide[..
A 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
5rgv[2] B UGG
2-(isoquinolin-4-yl)-N-phenylacetamide[20 atoms]
A 100.0
/100.0
12
/12
R1AB_SARS2 3C-like proteinase
5rgv[2] B UGG
2-(isoquinolin-4-yl)-N-phenylacetamide[20 atoms]
A 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
5rel[2] E T2G
1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-..
A 100.0
/100.0
10
/10
R1AB_SARS2 3C-like proteinase
5rgu[2] B UGD
N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyri..
A 100.0
/100.0
16
/16
R1AB_SARS2 3C-like proteinase
5reo[2] E T2Y
N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide[14 at..
A 100.0
/100.0
6
/6
R1AB_SARS2 3C-like proteinase
5re4[2] E SZY
N-(4-methylpyridin-3-yl)acetamide[11 atoms]
A 100.0
/100.0
9
/9
R1AB_SARS2 3C-like proteinase
5rgy[2] B UGS
N-(4-methoxypyridin-2-yl)-2-(naphthalen-2-yl)aceta..
A 100.0
/100.0
9
/9
R1AB_SARS2 3C-like proteinase
5rgx[2] B UGP
2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)acetamid..
A 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
5rhe[2] B UPD
1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-car..
A 100.0
/100.0
7
/7
R1AB_SARS2 3C-like proteinase
5ren[2] E T2V
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]et..
A 100.0
/100.0
13
/13
R1AB_SARS2 3C-like proteinase
5rg2[2] E T9M
N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide[1..
A 100.0
/100.0
8
/8
R1AB_SARS2 3C-like proteinase
5rhf[2] F UPJ
1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide..
A 100.0
/100.0
9
/9
R1AB_SARS2 3C-like proteinase
5ref[2] E 6SU
methyl 3-(methylsulfonylamino)benzoate[15 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 3C-like proteinase
5rg1[2] E T9J
Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosina..
A 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
6yt8[2] B PK8
9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]n..
A 100.0
/100.0
6
/6
R1AB_SARS2 Replicase polyprotein 1ab
5rfe[2] E JGG
N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide[..
A 100.0
/100.0
8
/8
R1AB_SARS2 3C-like proteinase
5rfa[2] D JGY
1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-..
A 100.0
/100.0
3
/3
R1AB_SARS2 3C-like proteinase
5rfa[2] D JGY
1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-..
A 100.0
/100.0
8
/8
R1AB_SARS2 3C-like proteinase
6lze[2] F FHR
~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~..
A 100.0
/100.0
17
/17
R1AB_SARS2 Replicase polyprotein 1ab
5rea[2] E JGP
(azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone[18..
A 100.0
/100.0
3
/3
R1AB_SARS2 3C-like proteinase
5rg3[2] F T9P
N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide[15 a..
A 100.0
/100.0
9
/9
R1AB_SARS2 3C-like proteinase
7cx9[2] B GKF
3-iodanyl-1~{H}-indazole-7-carbaldehyde[12 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 3C protein
7c8t[2] B NOL
N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-..
A 100.0
/100.0
23
/23
R1AB_SARS2 3C-like proteinase
5rh4[2] B UHG
(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid[1..
A 100.0
/100.0
5
/5
R1AB_SARS2 3C-like proteinase
5rfq[2] E T7Y
N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide[16 ato..
A 100.0
/100.0
8
/8
R1AB_SARS2 3C-like proteinase
5rh3[2] B UHA
(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)pr..
A 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
5ree[2] E T1M
(2R,3R)-1-benzyl-2-methylpiperidin-3-ol[15 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 3C-like proteinase
5rh8[2] F UHM
2-(cyanomethoxy)-N-[(1,2-thiazol-4-yl)methyl]benza..
A 100.0
/100.0
12
/12
R1AB_SARS2 3C-like proteinase
5rf9[2] E S7D
1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-..
A 100.0
/100.0
7
/7
R1AB_SARS2 3C-like proteinase
5rec[2] E T1J
2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol[18 a..
A 100.0
/100.0
5
/5
R1AB_SARS2 3C-like proteinase
5reu[2] E T4D
2-[(4-acetylpiperazin-1-yl)sulfonyl]benzonitrile[2..
A 100.0
/100.0
10
/10
R1AB_SARS2 3C-like proteinase
5rej[2] E T1V
1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan..
A 100.0
/100.0
6
/6
R1AB_SARS2 3C-like proteinase
5rf6[2] E NTG
5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile[15 at..
A 100.0
/100.0
9
/9
R1AB_SARS2 3C-like proteinase
5rei[2] E T1S
4-[(3-chlorophenyl)methyl]morpholine[14 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 3C-like proteinase
5rek[2] E T1Y
1-{4-[(3-fluorophenyl)sulfonyl]piperazin-1-yl}etha..
A 100.0
/100.0
8
/8
R1AB_SARS2 3C-like proteinase
5rh6[2] F UHY
N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-..
A 100.0
/100.0
15
/15
R1AB_SARS2 3C-like proteinase
6xb2[2] C NEN
1-ETHYL-PYRROLIDINE-2,5-DIONE[9 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase
6xb1[4] B NEN
1-ETHYL-PYRROLIDINE-2,5-DIONE[9 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase
5rey[2] E T4Y
1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}et..
A 100.0
/100.0
10
/10
R1AB_SARS2 3C-like proteinase
6m0k[2] F FJC
~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1..
A 100.0
/100.0
17
/17
R1AB_SARS2 Replicase polyprotein 1ab
5rex[2] E T4V
1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan..
A 100.0
/100.0
11
/11
R1AB_SARS2 3C-like proteinase
5rh7[2] F UJ1
N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-eth..
A 100.0
/100.0
15
/15
R1AB_SARS2 3C-like proteinase
5rev[2] E T4J
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide[1..
A 100.0
/100.0
9
/9
R1AB_SARS2 3C-like proteinase
5rhb[2] G USD
(E)-1-(pyrimidin-2-yl)methanimine[8 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 3C-like proteinase
5rew[2] E T4M
N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide[16 atom..
A 100.0
/100.0
9
/9
R1AB_SARS2 3C-like proteinase
5rf5[2] E HV2
1,1-bis(oxidanylidene)thietan-3-ol[7 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 3C-like proteinase
7ju7[2] B G65
Masitinib[36 atoms]
A 100.0
/100.0
16
/16
R1AB_SARS2 3C-like proteinase
5rgh[2] E U0M
5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl..
A 100.0
/100.0
10
/10
R1AB_SARS2 3C-like proteinase
5r7z[2] E HWH
~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethana..
A 100.0
/100.0
11
/11
R1AB_SARS2 3C-like proteinase
6wtk[2] B UED
N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3..
A 100.0
/100.0
17
/17
R1AB_SARS2 3C-like proteinase
5r83[2] E K0G
N-phenyl-N'-pyridin-3-ylurea[16 atoms]
A 100.0
/100.0
12
/12
R1AB_SARS2 3C-like proteinase
5rgk[2] E U0V
2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide[18 ato..
A 100.0
/100.0
6
/6
R1AB_SARS2 3C-like proteinase
5rgj[2] E U0S
(5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane[..
A 100.0
/100.0
5
/5
R1AB_SARS2 3C-like proteinase
5rgi[2] E U0P
N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-..
A 100.0
/100.0
11
/11
R1AB_SARS2 3C-like proteinase
5rgi[2] E U0P
N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-..
A 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
6w63[2] B X77
N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)..
A 100.0
/100.0
16
/16
R1AB_SARS2 3C-like proteinase
5rgl[2] E U0Y
1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]et..
A 100.0
/100.0
8
/8
R1AB_SARS2 3C-like proteinase
6y2f[4] C O6K
~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxi..
A 100.0
/100.0
18
/18
R1AB_SARS2 Replicase polyprotein 1ab
6y2g[1] D O6K
~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxi..
B 100.0
/100.0
1
/1
R1AB_SARS2 Replicase polyprotein 1ab
5re9[2] E LPZ
2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-y..
A 100.0
/100.0
6
/6
R1AB_SARS2 3C-like proteinase
6xhm[2] E V2M
N-[(2S)-1-({(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrr..
B 100.0
/100.0
19
/19
R1AB_SARS2 3C-like proteinase
6xhm[1] C V2M
N-[(2S)-1-({(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrr..
B 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
5rer[2] E T3J
1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-o..
A 100.0
/100.0
10
/10
R1AB_SARS2 3C-like proteinase
6m2n[4] E 3WL
5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one[20 atom..
A 100.0
/100.0
13
/13
SARS-CoV-2 3CL protease
5rgn[2] E U1A
1-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}etha..
A 100.0
/100.0
8
/8
R1AB_SARS2 3C-like proteinase
5rep[2] E T3G
1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}..
A 100.0
/100.0
6
/6
R1AB_SARS2 3C-like proteinase
5rfc[2] E K1Y
methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbama..
A 100.0
/100.0
6
/6
R1AB_SARS2 3C-like proteinase
5ret[2] E T47
1-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}ethan-..
A 100.0
/100.0
12
/12
R1AB_SARS2 3C-like proteinase
5rgm[2] E U1D
N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-ca..
A 100.0
/100.0
12
/12
R1AB_SARS2 3C-like proteinase
5rgo[2] E U1G
1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one[..
A 100.0
/100.0
11
/11
R1AB_SARS2 3C-like proteinase
5rgr[2] E K1G
N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyr..
A 100.0
/100.0
3
/3
R1AB_SARS2 3C-like proteinase
5rgr[2] D K1G
N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyr..
A 100.0
/100.0
5
/5
R1AB_SARS2 3C-like proteinase
5res[2] E T3V
1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}etha..
A 100.0
/100.0
6
/6
R1AB_SARS2 3C-like proteinase
7buy[2] B JRY
hexylcarbamic acid[9 atoms]
A 100.0
/100.0
8
/8
SARS-CoV-2 virus Main protease
5rgq[2] D U1V
1-(4-fluoro-2-methylphenyl)methanesulfonamide[13 a..
A 100.0
/100.0
9
/9
R1AB_SARS2 3C-like proteinase
5rgq[2] D U1V
1-(4-fluoro-2-methylphenyl)methanesulfonamide[13 a..
A 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
7cbt[2] D K36
(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino..
B 100.0
/100.0
15
/15
R1AB_SARS2 Replicase polyprotein 1ab
6wtt[9] D K36
(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino..
A 100.0
/100.0
19
/19
R1AB_SARS2 3C-like proteinase
6wtj[2] B K36
(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino..
A 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
5rfh[2] E T6Y
1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl..
A 100.0
/100.0
11
/11
R1AB_SARS2 3C-like proteinase
5rhc[2] B USA
(E)-1-(1H-imidazol-2-yl)methanimine[7 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 3C-like proteinase
5rfg[2] E T6V
N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thioph..
A 100.0
/100.0
9
/9
R1AB_SARS2 3C-like proteinase
5rff[2] E T6M
1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}etha..
A 100.0
/100.0
8
/8
R1AB_SARS2 3C-like proteinase
5rfd[2] E T6J
2-[(methylsulfonyl)methyl]-1H-benzimidazole[14 ato..
A 100.0
/100.0
5
/5
R1AB_SARS2 3C-like proteinase
5reg[2] E LWA
(2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carb..
A 100.0
/100.0
8
/8
R1AB_SARS2 3C-like proteinase
6ynq[2] B P6N
(2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-on..
A 100.0
/100.0
1
/1
R1AB_SARS2 Replicase polyprotein 1ab
6ynq[2] B P6N
(2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-on..
A 100.0
/100.0
8
/8
R1AB_SARS2 Replicase polyprotein 1ab
5rh5[2] B UHV
N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-met..
A 100.0
/100.0
16
/16
R1AB_SARS2 3C-like proteinase
6wtt[1] N UCS
N~2~-[(benzyloxy)carbonyl]-N-[(1R,2S)-1-hydroxy-3-..
B 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
6wtt[1] N UCS
N~2~-[(benzyloxy)carbonyl]-N-[(1R,2S)-1-hydroxy-3-..
C 100.0
/100.0
20
/20
R1AB_SARS2 3C-like proteinase
5rez[2] E T54
(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamid..
A 100.0
/100.0
8
/8
R1AB_SARS2 3C-like proteinase
7c7p[1] E FK3
(3~{S},3~{a}~{S},6~{a}~{R})-~{N}-[(2~{R},3~{S})-1-..
B 100.0
/100.0
13
/13
R1AB_SARS2 main protease
5rgt[2] F UHS
N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)..
A 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
6yvf[2] B A82
2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylid..
A 100.0
/100.0
7
/7
R1AB_SARS2 Replicase polyprotein 1ab
5rf4[2] E T5Y
pyridin-2-ol[7 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase
5re6[2] E O0S
N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide[17 atom..
A 100.0
/100.0
5
/5
R1AB_SARS2 3C-like proteinase
5r81[2] B RZJ
1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide..
A 100.0
/100.0
9
/9
R1AB_SARS2 3C-like proteinase
5rf3[2] E T5V
pyrimidin-5-amine[7 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 3C-like proteinase
5r82[2] B RZS
6-(ethylamino)pyridine-3-carbonitrile[11 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 3C-like proteinase
5rgg[2] E NZD
4-methyl-N-phenylpiperazine-1-carboxamide[16 atoms..
A 100.0
/100.0
5
/5
R1AB_SARS2 3C-like proteinase
5rf0[2] E T5D
[1-(pyridin-2-yl)cyclopentyl]methanol[13 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase
5rf0[2] E T5D
[1-(pyridin-2-yl)cyclopentyl]methanol[13 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 3C-like proteinase
5rf1[2] E T5G
4-bromobenzene-1-sulfonamide[11 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 3C-like proteinase
5rfb[2] E K3S
N-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]ethanami..
A 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase
5rf7[2] E T67
1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyr..
A 100.0
/100.0
13
/13
R1AB_SARS2 3C-like proteinase
5rhd[2] I US7
1-[4-(methylsulfonyl)phenyl]piperazine[16 atoms]
A 100.0
/100.0
9
/9
R1AB_SARS2 3C-like proteinase
5rgs[2] E S7V
[(2~{R})-4-(phenylmethyl)morpholin-2-yl]methanol[1..
A 100.0
/100.0
7
/7
R1AB_SARS2 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.
METAL
306 pdb_id contact mol homologue
a3 description a4 identity[%]5 Ncon6 description
6xbg[1] H NA
SODIUM ION[1 atoms]
B 100.0
/100.0
1
/1
R1AB_SARS2 main protease
6z2e[2] E NA
SODIUM ION[1 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 Main Protease
6xbi[1] G NA
SODIUM ION[1 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 main protease
7jyc[4] G NA
SODIUM ION[1 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 3C-like proteinase
6xbh[2] D NA
SODIUM ION[1 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 main protease
6yvf[2] L CA
CALCIUM ION[1 atoms]
A 100.0
/100.0
1
/1
R1AB_SARS2 Replicase polyprotein 1ab
6wtt[1] M MG
MAGNESIUM ION[1 atoms]
B 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase
6wtt[2] J MG
MAGNESIUM ION[1 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 3C-like proteinase
7c8b[2] C CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 3C-like proteinase
6wtt[1] L CL
CHLORIDE ION[1 atoms]
B 100.0
/100.0
2
/2
R1AB_SARS2 3C-like proteinase
6xkf[11] D CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 3C-like proteinase
6wtt[2] I CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
6yvf[2] C CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Replicase polyprotein 1ab
6yt8[2] G CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Replicase polyprotein 1ab
5r7y[2] G CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase
6yvf[2] D CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
1
/1
R1AB_SARS2 Replicase polyprotein 1ab
6wtt[2] G CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
6yz6[8] G CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Main Protease
6z2e[2] D CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Main Protease
6yvf[2] D CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 Replicase polyprotein 1ab
7cx9[2] D CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 3C protein
6wtt[1] O CL
CHLORIDE ION[1 atoms]
C 100.0
/100.0
1
/1
R1AB_SARS2 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
5rgm[380] A R1AB_SARS2 3C-like proteinase[304 aa] A 100.0
/100.0
37
/37
R1AB_SARS2 3C-like proteinase
7cbt[2] B R1AB_SARS2 Replicase polyprotein 1ab[298 aa] A 100.0
/100.0
26
/26
R1AB_SARS2 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.
PRECIPITANT
306 pdb_id contact mol homologue
a3 description a4 identity[%]5 Ncon6 description
7ju7[2] D GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 3C-like proteinase
6xbg[2] G GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
1
/1
R1AB_SARS2 main protease
6xbi[1] F GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 main protease
6xa4[7] C GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 main protease
6xbg[1] F GOL
GLYCEROL[6 atoms]
B 100.0
/100.0
8
/8
R1AB_SARS2 main protease
7cx9[2] C GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
9
/9
R1AB_SARS2 3C protein
6wtt[2] F GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase
6xbi[1] E GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 main protease
7ju7[2] E GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 3C-like proteinase
6yt8[2] C IMD
IMIDAZOLE[5 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 Replicase polyprotein 1ab
6yz6[2] E IMD
IMIDAZOLE[5 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Main Protease
6xkh[2] D FMT
FORMIC ACID[3 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 3C-like proteinase
7jfq[2] E FMT
FORMIC ACID[3 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 3C-like proteinase
7jfq[2] C FMT
FORMIC ACID[3 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 3C-like proteinase
6xkh[2] E FMT
FORMIC ACID[3 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 3C-like proteinase
6xkh[2] F FMT
FORMIC ACID[3 atoms]
A 85.7
/100.0
7
/7
R1AB_SARS2 3C-like proteinase
6xkh[2] G FMT
FORMIC ACID[3 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 3C-like proteinase
5rf2[2] E HVB
1-azanylpropylideneazanium[5 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 3C-like proteinase
6xkh[2] B EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase
7jfq[2] D EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 3C-like proteinase
7jfq[2] B EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase
6xhm[4] D EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 3C-like proteinase
6xkh[2] C EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 3C-like proteinase
6xkf[1] C EDO
1,2-ETHANEDIOL[4 atoms]
A 80.0
/100.0
5
/5
R1AB_SARS2 3C-like proteinase
7jkv[1] E 1PE
PENTAETHYLENE GLYCOL[16 atoms]
B 100.0
/100.0
9
/9
R1AB_SARS2 3C-like proteinase
6y2g[1] C GLY
GLYCINE[4 atoms]
B 100.0
/100.0
1
/1
R1AB_SARS2 Replicase polyprotein 1ab
6y2g[1] C GLY
GLYCINE[4 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 Replicase polyprotein 1ab
6xmk[1] E PG4
TETRAETHYLENE GLYCOL[13 atoms]
B 100.0
/100.0
8
/8
R1AB_SARS2 3C-like proteinase
5rg3[246] B DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 3C-like proteinase
5rf1[256] C DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 3C-like proteinase
5rf1[254] C DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
5rgy[14] F DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
5rgy[62] F DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 3C-like proteinase
5rgx[50] F DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 3C-like proteinase
6xbi[1] H DMS
DIMETHYL SULFOXIDE[4 atoms]
B 100.0
/100.0
5
/5
R1AB_SARS2 main protease
5rg3[244] D DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase
6lze[14] B DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Replicase polyprotein 1ab
7k3t[22] C DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 3C-like proteinase
5rfw[14] E DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 3C-like proteinase
6yvf[10] H DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 Replicase polyprotein 1ab
7buy[2] E DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
4
/4
SARS-CoV-2 virus Main protease
7buy[2] E DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
2
/2
SARS-CoV-2 virus Main protease
6yz6[2] C DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 Main Protease
6m0k[2] D DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 Replicase polyprotein 1ab
6yb7[14] I DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Replicase polyprotein 1ab
7k3t[2] K DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase
5rhd[2] H DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
6xbi[1] H DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 main protease
6xkh[2] H ACT
ACETATE ION[4 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase
6yvf[2] K PEG
DI(HYDROXYETHYL)ETHER[6 atoms]
A 100.0
/100.0
1
/1
R1AB_SARS2 Replicase polyprotein 1ab
6yt8[2] E PEG
DI(HYDROXYETHYL)ETHER[7 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Replicase polyprotein 1ab
6yvf[2] J PEG
DI(HYDROXYETHYL)ETHER[7 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 Replicase polyprotein 1ab
6yvf[2] I PEG
DI(HYDROXYETHYL)ETHER[7 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 Replicase polyprotein 1ab
6wtt[2] E PEG
DI(HYDROXYETHYL)ETHER[7 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase
6yt8[2] F PEG
DI(HYDROXYETHYL)ETHER[7 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 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.