eF-site ID 1rgq-B PDB Code 1rgq Chain B click to enlarge Title M9A HCV Protease complex with pentapeptide keto-amide inhibitor Classification Viral protein, hydrolase Compound NS3 Protease Source Hepatitis C virus genotype 1a (isolate H) (HCV) (O39914_9HEPC) Sequence B:  QMGAPITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVS TATQTFLATCINGVCWTVYHGAGTRTIASPKGPVIQMYTN VDQDLVGWPAPQGSRSLTPCTCGSSDLYLVTRHADVIPVR RRGDSRGSLLSPRPISYLKGSSGGPLLCPAGHAVGLFRAA VCTRGVTKAVDFIPVENLETTMRSGS Description (1)  NS3 Protease (E.C.3.4.21.98), NS4A peptide Functional site 1) chain B residue 100 type sequence C description BINDING SITE FOR RESIDUE ZN B 193 source : AC2 2) chain B residue 102 type sequence C description BINDING SITE FOR RESIDUE ZN B 193 source : AC2 3) chain B residue 148 type sequence C description BINDING SITE FOR RESIDUE ZN B 193 source : AC2 4) chain B residue 44 type sequence Q description BINDING SITE FOR RESIDUE AKP B 194 source : AC3 5) chain B residue 45 type sequence T description BINDING SITE FOR RESIDUE AKP B 194 source : AC3 6) chain B residue 60 type sequence H description BINDING SITE FOR RESIDUE AKP B 194 source : AC3 7) chain B residue 135 type sequence I description BINDING SITE FOR RESIDUE AKP B 194 source : AC3 8) chain B residue 138 type sequence L description BINDING SITE FOR RESIDUE AKP B 194 source : AC3 9) chain B residue 139 type sequence K description BINDING SITE FOR RESIDUE AKP B 194 source : AC3 10) chain B residue 140 type sequence G description BINDING SITE FOR RESIDUE AKP B 194 source : AC3 11) chain B residue 141 type sequence S description BINDING SITE FOR RESIDUE AKP B 194 source : AC3 12) chain B residue 142 type sequence S description BINDING SITE FOR RESIDUE AKP B 194 source : AC3 13) chain B residue 158 type sequence R description BINDING SITE FOR RESIDUE AKP B 194 source : AC3 14) chain B residue 159 type sequence A description BINDING SITE FOR RESIDUE AKP B 194 source : AC3 15) chain B residue 160 type sequence A description BINDING SITE FOR RESIDUE AKP B 194 source : AC3 16) chain B residue 161 type sequence V description BINDING SITE FOR RESIDUE AKP B 194 source : AC3 17) chain B residue 162 type sequence C description BINDING SITE FOR RESIDUE AKP B 194 source : AC3 18) chain B residue 61 type catalytic sequence G description 776 source MCSA : MCSA2 19) chain B residue 85 type catalytic sequence L description 776 source MCSA : MCSA2 20) chain B residue 141 type catalytic sequence S description 776 source MCSA : MCSA2 21) chain B residue 143 type catalytic sequence G description 776 source MCSA : MCSA2 22) chain B residue 61 type ACT_SITE sequence G description Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000269|PubMed:8386278, ECO:0000305|PubMed:8861917 source Swiss-Prot : SWS_FT_FI1 23) chain B residue 85 type ACT_SITE sequence L description Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000305|PubMed:8861917 source Swiss-Prot : SWS_FT_FI2 24) chain B residue 143 type ACT_SITE sequence G description Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000269|PubMed:8248148, ECO:0000269|PubMed:8386278, ECO:0000305|PubMed:8861917 source Swiss-Prot : SWS_FT_FI3 25) chain B residue 101 type BINDING sequence T description BINDING => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000269|PubMed:21507982, ECO:0007744|PDB:1A1R, ECO:0007744|PDB:1N1L, ECO:0007744|PDB:1RGQ, ECO:0007744|PDB:2A4R, ECO:0007744|PDB:2F9V, ECO:0007744|PDB:2O8M, ECO:0007744|PDB:2OBQ, ECO:0007744|PDB:2OC0, ECO:0007744|PDB:2OC1, ECO:0007744|PDB:2OC7, ECO:0007744|PDB:2OC8, ECO:0007744|PDB:2OIN, ECO:0007744|PDB:2XNI source Swiss-Prot : SWS_FT_FI4 26) chain B residue 103 type BINDING sequence G description BINDING => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000269|PubMed:21507982, ECO:0007744|PDB:1A1R, ECO:0007744|PDB:1N1L, ECO:0007744|PDB:1RGQ, ECO:0007744|PDB:2A4R, ECO:0007744|PDB:2F9V, ECO:0007744|PDB:2O8M, ECO:0007744|PDB:2OBQ, ECO:0007744|PDB:2OC0, ECO:0007744|PDB:2OC1, ECO:0007744|PDB:2OC7, ECO:0007744|PDB:2OC8, ECO:0007744|PDB:2OIN, ECO:0007744|PDB:2XNI source Swiss-Prot : SWS_FT_FI4 27) chain B residue 4 type SITE sequence A description Cleavage; by protease NS2 => ECO:0000255|PROSITE-ProRule:PRU01030 source Swiss-Prot : SWS_FT_FI7 28) chain B residue 149 type BINDING sequence P description BINDING => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000269|PubMed:21507982, ECO:0007744|PDB:1N1L, ECO:0007744|PDB:1RGQ, ECO:0007744|PDB:2A4R, ECO:0007744|PDB:2F9V, ECO:0007744|PDB:2O8M, ECO:0007744|PDB:2OBQ, ECO:0007744|PDB:2OC0, ECO:0007744|PDB:2OC1, ECO:0007744|PDB:2OC7, ECO:0007744|PDB:2OC8, ECO:0007744|PDB:2OIN, ECO:0007744|PDB:2XNI source Swiss-Prot : SWS_FT_FI5 29) chain B residue 153 type BINDING sequence A description BINDING => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000269|PubMed:21507982 source Swiss-Prot : SWS_FT_FI6

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