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6P6Q

HCV NS3/4A protease domain of genotype 1a3a chimera in complex with grazoprevir

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 Residues17
Detailsbinding site for residue SUE A 1301
ChainResidue
AGLN1041
AGLY1137
ASER1139
APHE1154
AARG1155
AALA1156
AALA1157
AGLN1168
BPRO1067
APHE1043
ATYR1056
AHIS1057
AVAL1078
AASP1081
ALEU1132
ALEU1135
ALYS1136

site_idAC2
Number of Residues3
Detailsbinding site for residue ZN A 1302
ChainResidue
ACYS1097
ACYS1145
AHIS1149

site_idAC3
Number of Residues7
Detailsbinding site for residue MES A 1303
ChainResidue
ALYS989
AGLY990
ASER1020
ATHR1038
AALA1039
ATHR1040
ASO41307

site_idAC4
Number of Residues5
Detailsbinding site for residue MES A 1304
ChainResidue
ASER1093
ATHR1095
AHOH1401
BTHR1040
BSO41306

site_idAC5
Number of Residues2
Detailsbinding site for residue SO4 A 1305
ChainResidue
ATYR1056
AHOH1408

site_idAC6
Number of Residues4
Detailsbinding site for residue SO4 A 1306
ChainResidue
ASER1066
ALYS1068
AVAL1071
BLYS1136

site_idAC7
Number of Residues5
Detailsbinding site for residue SO4 A 1307
ChainResidue
ALYS989
ATHR1040
AARG1062
AMES1303
BHOH1408

site_idAC8
Number of Residues20
Detailsbinding site for residue SUE B 1301
ChainResidue
APRO1067
ALYS1068
ACYS1099
BGLN1041
BPHE1043
BHIS1057
BGLY1058
BVAL1078
BASP1081
BLEU1132
BLEU1135
BLYS1136
BGLY1137
BSER1138
BSER1139
BPHE1154
BARG1155
BALA1156
BALA1157
BGLN1168

site_idAC9
Number of Residues3
Detailsbinding site for residue ZN B 1302
ChainResidue
BCYS1097
BCYS1145
BHIS1149

site_idAD1
Number of Residues1
Detailsbinding site for residue SO4 B 1303
ChainResidue
BTYR1056

site_idAD2
Number of Residues5
Detailsbinding site for residue SO4 B 1304
ChainResidue
BLYS989
BTHR1040
BARG1062
BHOH1401
BHOH1405

site_idAD3
Number of Residues2
Detailsbinding site for residue SO4 B 1305
ChainResidue
BARG1155
BSER1174

site_idAD4
Number of Residues5
Detailsbinding site for residue SO4 B 1306
ChainResidue
AMES1304
BLYS989
BGLY990
BALA1039
BARG1062

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
BHIS1057
BASP1081
BSER1139
AHIS1057
AASP1081
ASER1139

site_idSWS_FT_FI2
Number of Residues8
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01166
ChainResidueDetails
BCYS1145
BHIS1149
AHIS1149
BCYS1097
BCYS1099
ACYS1097
ACYS1099
ACYS1145

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PDB entries from 2024-06-12

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