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4NWK

Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide

Functional Information from GO Data
ChainGOidnamespacecontents
A0006508biological_processproteolysis
A0008236molecular_functionserine-type peptidase activity
A0019087biological_processtransformation of host cell by virus
Functional Information from PDB Data
site_idAC1
Number of Residues25
DetailsBINDING SITE FOR RESIDUE 2R8 A 301
ChainResidue
AGLN41
APRO131
AILE132
ATYR134
ALEU135
ALYS136
AGLY137
ASER138
ASER139
APHE154
AARG155
APHE43
AALA156
AALA157
AGOL305
AGOL309
AGOL310
AHOH457
AHIS57
AGLY58
AASP79
AASP81
AHIS110
AASP112
AARG130

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 302
ChainResidue
ACYS97
ACYS99
ACYS145
AHIS149

site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 A 303
ChainResidue
ATHR10
AARG11
AGLY12
AGLY15
AARG117
AARG119
AHOH426
AHOH450
AHOH558

site_idAC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 304
ChainResidue
ASER66
AVAL71
AGLN86
AALA87
APRO88
AHOH417
AHOH468
AHOH476
AHOH539

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 305
ChainResidue
ATHR42
AGLY137
A2R8301
AGOL310
AHOH458

site_idAC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 306
ChainResidue
AGLY60
ATHR61
AARG62
APRO129
AHOH437
AHOH447
AHOH469
AHOH487
AHOH494

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 307
ChainResidue
ATHR22
AGLY120
AASP121
ASER122
AHOH520

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 308
ChainResidue
ALEU0
AGLY2
AASP3
AALA5
AHOH547

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 309
ChainResidue
ASER133
ATYR134
A2R8301
AHOH432
AHOH463
AHOH561

site_idBC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 310
ChainResidue
AGLN41
ASER128
AARG130
ALYS136
A2R8301
AGOL305
AHOH451
AHOH457
AHOH458

218853

數據於2024-04-24公開中

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