eF-site ID 4nwk-A PDB Code 4nwk Chain A click to enlarge Title 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 Classification HYDROLASE/HYDROLASE INHIBITOR Compound HCV NS3 1a Protease Source Hepatitis C virus subtype 1a (A8DG50_9HEPC) Sequence A:  GSVVIVGRINLSGDTAYAQQTRGEEGCQETSQTGRDKNQV EGEVQIVSTATQTFLATSINGVLWTVYHGAGTRTIASPKG PVTQMYTNVDKDLVGWQAPQGSRSLTPCTCGSSDLYLVTR HADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPAGH AVGIFRAAVCTRGVAKAVDFIPVESLET Description Functional site 1) chain A residue 41 type sequence Q description BINDING SITE FOR RESIDUE 2R8 A 301 source : AC1 2) chain A residue 43 type sequence F description BINDING SITE FOR RESIDUE 2R8 A 301 source : AC1 3) chain A residue 57 type sequence H description BINDING SITE FOR RESIDUE 2R8 A 301 source : AC1 4) chain A residue 58 type sequence G description BINDING SITE FOR RESIDUE 2R8 A 301 source : AC1 5) chain A residue 79 type sequence D description BINDING SITE FOR RESIDUE 2R8 A 301 source : AC1 6) chain A residue 81 type sequence D description BINDING SITE FOR RESIDUE 2R8 A 301 source : AC1 7) chain A residue 110 type sequence H description BINDING SITE FOR RESIDUE 2R8 A 301 source : AC1 8) chain A residue 112 type sequence D description BINDING SITE FOR RESIDUE 2R8 A 301 source : AC1 9) chain A residue 130 type sequence R description BINDING SITE FOR RESIDUE 2R8 A 301 source : AC1 10) chain A residue 131 type sequence P description BINDING SITE FOR RESIDUE 2R8 A 301 source : AC1 11) chain A residue 132 type sequence I description BINDING SITE FOR RESIDUE 2R8 A 301 source : AC1 12) chain A residue 134 type sequence Y description BINDING SITE FOR RESIDUE 2R8 A 301 source : AC1 13) chain A residue 135 type sequence L description BINDING SITE FOR RESIDUE 2R8 A 301 source : AC1 14) chain A residue 136 type sequence K description BINDING SITE FOR RESIDUE 2R8 A 301 source : AC1 15) chain A residue 137 type sequence G description BINDING SITE FOR RESIDUE 2R8 A 301 source : AC1 16) chain A residue 138 type sequence S description BINDING SITE FOR RESIDUE 2R8 A 301 source : AC1 17) chain A residue 139 type sequence S description BINDING SITE FOR RESIDUE 2R8 A 301 source : AC1 18) chain A residue 154 type sequence F description BINDING SITE FOR RESIDUE 2R8 A 301 source : AC1 19) chain A residue 155 type sequence R description BINDING SITE FOR RESIDUE 2R8 A 301 source : AC1 20) chain A residue 156 type sequence A description BINDING SITE FOR RESIDUE 2R8 A 301 source : AC1 21) chain A residue 157 type sequence A description BINDING SITE FOR RESIDUE 2R8 A 301 source : AC1 22) chain A residue 97 type sequence C description BINDING SITE FOR RESIDUE ZN A 302 source : AC2 23) chain A residue 99 type sequence C description BINDING SITE FOR RESIDUE ZN A 302 source : AC2 24) chain A residue 145 type sequence C description BINDING SITE FOR RESIDUE ZN A 302 source : AC2 25) chain A residue 149 type sequence H description BINDING SITE FOR RESIDUE ZN A 302 source : AC2 26) chain A residue 10 type sequence T description BINDING SITE FOR RESIDUE SO4 A 303 source : AC3 27) chain A residue 11 type sequence R description BINDING SITE FOR RESIDUE SO4 A 303 source : AC3 28) chain A residue 12 type sequence G description BINDING SITE FOR RESIDUE SO4 A 303 source : AC3 29) chain A residue 15 type sequence G description BINDING SITE FOR RESIDUE SO4 A 303 source : AC3 30) chain A residue 117 type sequence R description BINDING SITE FOR RESIDUE SO4 A 303 source : AC3 31) chain A residue 119 type sequence R description BINDING SITE FOR RESIDUE SO4 A 303 source : AC3 32) chain A residue 66 type sequence S description BINDING SITE FOR RESIDUE GOL A 304 source : AC4 33) chain A residue 71 type sequence V description BINDING SITE FOR RESIDUE GOL A 304 source : AC4 34) chain A residue 86 type sequence Q description BINDING SITE FOR RESIDUE GOL A 304 source : AC4 35) chain A residue 87 type sequence A description BINDING SITE FOR RESIDUE GOL A 304 source : AC4 36) chain A residue 88 type sequence P description BINDING SITE FOR RESIDUE GOL A 304 source : AC4 37) chain A residue 42 type sequence T description BINDING SITE FOR RESIDUE GOL A 305 source : AC5 38) chain A residue 137 type sequence G description BINDING SITE FOR RESIDUE GOL A 305 source : AC5 39) chain A residue 60 type sequence G description BINDING SITE FOR RESIDUE GOL A 306 source : AC6 40) chain A residue 61 type sequence T description BINDING SITE FOR RESIDUE GOL A 306 source : AC6 41) chain A residue 62 type sequence R description BINDING SITE FOR RESIDUE GOL A 306 source : AC6 42) chain A residue 129 type sequence P description BINDING SITE FOR RESIDUE GOL A 306 source : AC6 43) chain A residue 22 type sequence T description BINDING SITE FOR RESIDUE GOL A 307 source : AC7 44) chain A residue 120 type sequence G description BINDING SITE FOR RESIDUE GOL A 307 source : AC7 45) chain A residue 121 type sequence D description BINDING SITE FOR RESIDUE GOL A 307 source : AC7 46) chain A residue 122 type sequence S description BINDING SITE FOR RESIDUE GOL A 307 source : AC7 47) chain A residue 0 type sequence L description BINDING SITE FOR RESIDUE GOL A 308 source : AC8 48) chain A residue 2 type sequence G description BINDING SITE FOR RESIDUE GOL A 308 source : AC8 49) chain A residue 3 type sequence D description BINDING SITE FOR RESIDUE GOL A 308 source : AC8 50) chain A residue 5 type sequence A description BINDING SITE FOR RESIDUE GOL A 308 source : AC8 51) chain A residue 133 type sequence S description BINDING SITE FOR RESIDUE GOL A 309 source : AC9 52) chain A residue 134 type sequence Y description BINDING SITE FOR RESIDUE GOL A 309 source : AC9 53) chain A residue 41 type sequence Q description BINDING SITE FOR RESIDUE GOL A 310 source : BC1 54) chain A residue 128 type sequence S description BINDING SITE FOR RESIDUE GOL A 310 source : BC1 55) chain A residue 130 type sequence R description BINDING SITE FOR RESIDUE GOL A 310 source : BC1 56) chain A residue 136 type sequence K description BINDING SITE FOR RESIDUE GOL A 310 source : BC1

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