HOMCOS(prot_sch_conbars.cgi):

#WARNING:no index is registered index 'YP_009725301.1' in 'http://www.uniprot.org/uniprot/'

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PID

QueryLength

Homolgous Sequence in PDB

UniProt Query

TITLE

56766

306

372

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

6xbi[2] C inhibitor UAW248[5 aa] A 100.0
/100.0 20
/20 R1AB_SARS2 main protease

6xch[6] B Leupeptin[4 aa] A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

6xbh[2] B inhibitor UAW247[3 aa] A 100.0
/100.0 17
/17 R1AB_SARS2 main protease

6xfn[4] B UAW243[4 aa] A 100.0
/100.0 14
/14 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

3snc[2] B Peptide aldehyde inhibitor Ac-NSTSQ-H[6 aa] A 100.0
/96.1 18
/18 R1A_CVHSA 3C-like proteinase

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

2z3d[2] B Inhibitor[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

3snb[2] B Peptide aldehyde inhibitor Ac-DSFDQ-H[6 aa] A 100.0
/96.1 19
/19 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)

6lu7[14] B N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-.. A 100.0
/100.0 22
/22 R1AB_SARS2 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

2amq[2] C N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-.. A 100.0
/96.0 24
/24 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

1uk4[2] D 5-mer peptide of inhibitor[5 aa] B 100.0
/96.0 15
/15 R1AB_CVHSA 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

3sna[2] B Peptide aldehyde inhibitor Ac-NSFSQ-H[6 aa] A 100.0
/96.0 17
/17 R1A_CVHSA 3C-like proteinase

3vb4[4] C B4Z inhibitor[5 aa] A 100.0
/96.0 21
/21 R1A_CVHSA 3C-like proteinase

3vb4[1] C B4Z inhibitor[5 aa] B 100.0
/96.1 1
/1 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..

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

3atw[2] C peptide ACE-THR-VAL-ALC-HIS-H[5 aa] A 95.2
/95.7 21
/21 R1A_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.

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

5r7y[2] B JFM
N-(2-phenylethyl)methanesulfonamide[13 atoms] A 100.0
/100.0 9
/9 R1AB_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

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

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

6zru[12] D U5G
boceprevir (bound form)[37 atoms] A 100.0
/100.0 17
/17 R1AB_SARS2 Main Protease

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

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

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

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

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

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

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

5r82[2] B RZS
6-(ethylamino)pyridine-3-carbonitrile[11 atoms] A 100.0
/100.0 7
/7 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

5re5[2] E T0J
N~1~-phenylpiperidine-1,4-dicarboxamide[18 atoms] A 100.0
/100.0 4
/4 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

6w79[4] C X77
N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino).. A 100.0
/96.1 17
/17 Main protease

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

6xhl[4] C V2M
N-[(2S)-1-({(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrr.. A 100.0
/96.0 18
/18 R1A_CVHSA 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

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

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

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

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-.. C 100.0
/100.0 20
/20 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

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

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

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 ..

6lny[1] B EOC
(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[.. A 100.0
/96.1 16
/16 R1A_CVHSA Replicase polyprotein 1a

6lo0[1] B EOF
(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[.. A 100.0
/96.1 18
/18 R1A_CVHSA Replicase polyprotein 1a

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

6wco[2] D X47
N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclopentylamino.. A 100.0
/96.1 17
/17 A0A3G5BIY8_CVHSA Main protease

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

5n19[2] B D03
(S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanam.. A 95.2
/96.1 21
/21 R1AB_CVHSA SARS coronavirus main protease

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

7c8t[4] B NOL
N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-.. A 100.0
/100.0 23
/23 R1AB_SARS2 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 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

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

6lnq[1] B EJF
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene.. A 100.0
/96.1 19
/19 Severe Acute Respiratory Syndrome Coronavirus 3c L..

3tnt[2] B G85
N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2.. A 100.0
/96.1 22
/22 R1A_CVHSA SARS coronavirus main protease

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

6xmk[3] D QYS
(1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]ca.. B 100.0
/100.0 18
/18 R1AB_SARS2 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

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

6w2a[1] C VDJ
[4,4-bis(fluoranyl)cyclohexyl]methyl ~{N}-[(2~{S}).. A 100.0
/96.0 16
/16 R1A_CVHSA Replicase polyprotein 1a

6xhn[2] E V3D
(3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leuc.. B 100.0
/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

6xho[2] D V34
ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbony.. A 100.0
/96.0 19
/19 R1A_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

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

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] C 3A7
(2S)-2-({[(3S,4aR,8aS)-2-(4-bromobenzoyl)decahydro.. A 93.3
/95.8 15
/15 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

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

6wtt[2] J MG
MAGNESIUM ION[1 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

6wtt[1] M MG
MAGNESIUM ION[1 atoms] B 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7cx9[2] D CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C protein

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

2a5a[2] B CL
CHLORIDE ION[1 atoms] A 100.0
/96.1 2
/2 R1AB_CVHSA 3C-like peptidase

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

6wtt[1] O CL
CHLORIDE ION[1 atoms] C 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

6yvf[2] L CA
CALCIUM ION[1 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 Replicase polyprotein 1ab

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

2z94[2] 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

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

5rgm[568] A R1AB_SARS2 3C-like proteinase[304 aa] A 100.0
/100.0 37
/37 R1AB_SARS2 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] 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)

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

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

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

3vb4[4] 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

3vb4[1] G EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/96.0 2
/2 R1A_CVHSA 3C-like proteinase

3vb3[3] H EDO
1,2-ETHANEDIOL[4 atoms] A 83.3
/96.0 6
/6 R1A_CVHSA 3C-like proteinase

6xhn[22] D EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/96.0 5
/5 R1A_CVHSA 3C-like proteinase

3vb4[5] H EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/96.1 5
/5 R1A_CVHSA 3C-like proteinase

6xkh[2] B EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

3vb3[1] D EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/96.0 5
/5 R1A_CVHSA 3C-like proteinase

3vb7[1] G EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/96.1 5
/5 R1A_CVHSA 3C-like proteinase

7jfq[2] B EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

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

6xkh[2] C EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

3vb4[1] L EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/96.1 5
/5 R1A_CVHSA 3C-like proteinase

3vb3[1] I EDO
1,2-ETHANEDIOL[4 atoms] B 66.7
/96.1 3
/3 R1A_CVHSA 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

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[262] C DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

5rf1[263] 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[68] 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[16] 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

6w79[26] B DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/96.1 1
/1 Main protease

5rfw[18] 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

2vj1[3] 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

7k3t[2] K DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

2vj1[1] C DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/96.0 1
/1 A7J8L3_CVHSA SARS CORONAVIRUS MAIN PROTEINASE

6xkh[2] H ACT
ACETATE ION[4 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 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

7ju7[2] D GOL
GLYCEROL[6 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

6xbg[16] G GOL
GLYCEROL[6 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 main protease

6wtt[2] F GOL
GLYCEROL[6 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

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

2z3e[2] D GOL
GLYCEROL[6 atoms] A 100.0
/96.1 4
/4 R1AB_CVHSA Replicase polyprotein 1ab (pp1ab)

7cx9[2] C GOL
GLYCEROL[6 atoms] A 100.0
/100.0 9
/9 R1AB_SARS2 3C protein

3vb4[1] K GOL
GLYCEROL[6 atoms] B 100.0
/96.1 4
/4 R1A_CVHSA 3C-like proteinase

6xbi[1] E GOL
GLYCEROL[6 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 main protease

3vb7[1] H GOL
GLYCEROL[6 atoms] B 83.3
/96.1 6
/6 R1A_CVHSA 3C-like proteinase

7ju7[2] E GOL
GLYCEROL[6 atoms] A 100.0
/100.0 6
/6 R1AB_SARS2 3C-like proteinase

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

2v6n[2] D SO4
SULFATE ION[5 atoms] A 100.0
/96.1 2
/2 R1AB_CVHSA REPLICASE POLYPROTEIN 1AB

6wco[4] C MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID[12 atoms] A 100.0
/96.1 3
/3 A0A3G5BIY8_CVHSA Main protease

6w79[8] D MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID[12 atoms] A 80.0
/96.1 5
/5 Main protease

2gt7[1] C MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID[12 atoms] B 100.0
/96.0 1
/1 R1AB_CVHSA 3C-like proteinase

3snd[1] E MRD
(4R)-2-METHYLPENTANE-2,4-DIOL[8 atoms] A 83.3
/96.1 6
/6 R1A_CVHSA 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

3vb3[2] C PEG
DI(HYDROXYETHYL)ETHER[7 atoms] A 100.0
/96.0 4
/4 R1A_CVHSA 3C-like proteinase

2z9j[2] E DTZ
zinc(II)hydrogensulfide[3 atoms] A 100.0
/96.0 4
/4 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

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.

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.

Summary Bars[70 %]

UniProt Feature Tables [YP_009725301.1()]