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3SU4

Crystal structure of NS3/4A protease variant R155K in complex with vaniprevir

Functional Information from GO Data
ChainGOidnamespacecontents
A0006508biological_processproteolysis
A0008236molecular_functionserine-type peptidase activity
A0019087biological_processtransformation of host cell by virus
B0006508biological_processproteolysis
B0008236molecular_functionserine-type peptidase activity
B0019087biological_processtransformation of host cell by virus
Functional Information from PDB Data
site_idAC1
Number of Residues22
DetailsBINDING SITE FOR RESIDUE SU3 A 1
ChainResidue
AHOH46
AARG1123
ALEU1135
ALYS1136
AGLY1137
ASER1138
AALA1139
APHE1154
ALYS1155
AALA1156
AALA1157
AHOH54
BSU31
BVAL1078
BASP1079
AGLN1041
APHE1043
AHIS1057
AGLY1058
AVAL1078
AASP1079
AASP1081

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 A 2
ChainResidue
AGLY1012
AGLU1013
AGLU1014
AGLY1015
BHOH74
BARG1117
BARG1119
BSER1125
BLEU1127

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 3
ChainResidue
AHOH39
ATHR1061
BSER1159
BARG1161
BGLY1162

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 4
ChainResidue
ACYS1097
ACYS1099
ACYS1145
AHIS1149

site_idAC5
Number of Residues21
DetailsBINDING SITE FOR RESIDUE SU3 B 1
ChainResidue
ASU31
AVAL1078
AASP1079
BHOH26
BGLN1041
BPHE1043
BHIS1057
BGLY1058
BVAL1078
BASP1079
BASP1081
BARG1123
BLEU1135
BLYS1136
BGLY1137
BSER1138
BALA1139
BPHE1154
BLYS1155
BALA1156
BALA1157

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 2
ChainResidue
BCYS1097
BCYS1099
BCYS1145
BHIS1149

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues6
DetailsACT_SITE: Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU01166
ChainResidueDetails
ATYR1056
ALYS1080
ASER1138
BTYR1056
BLYS1080
BSER1138

site_idSWS_FT_FI2
Number of Residues8
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01166
ChainResidueDetails
APRO1096
ATHR1098
ALEU1144
AGLY1148
BPRO1096
BTHR1098
BLEU1144
BGLY1148

site_idSWS_FT_FI3
Number of Residues2
DetailsSITE: Cleavage; by protease NS2 => ECO:0000255|PROSITE-ProRule:PRU01030
ChainResidueDetails
AASN999
BASN999

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PDB entries from 2024-07-17

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