eF-site ID 6n4n-A PDB Code 6n4n Chain A click to enlarge Title Crystal structure of the designed protein DNCR2/danoprevir/NS3a complex Classification DE NOVO PROTEIN/HYDROLASE/INHIBITOR Compound NS3 protease Source (6N4N) Sequence A:  KKGSVVIVGRINLSGDTAYAQQTRGEEGCQETSQTGRDKN QVEGEVQIVSTATQTFLATSINGVLWTVYHGAGTRTIASP KGPVTQMYTNVDKDLVGWQAPQGSRSLTPCTCGSSDLYLV TRHADVIPVRRRGDSRGSLLSPRPISYLKGSAGGPLLCPA GHAVGIFRAAVSTRGVAKAVDFIPVESLETTMRSP Description Functional site 1) chain A residue 1097 type sequence C description binding site for residue ZN A 1201 source : AC1 2) chain A residue 1099 type sequence C description binding site for residue ZN A 1201 source : AC1 3) chain A residue 1145 type sequence C description binding site for residue ZN A 1201 source : AC1 4) chain A residue 1149 type sequence H description binding site for residue ZN A 1201 source : AC1 5) chain A residue 1043 type sequence F description binding site for residue TSV A 1202 source : AC2 6) chain A residue 1057 type sequence H description binding site for residue TSV A 1202 source : AC2 7) chain A residue 1079 type sequence D description binding site for residue TSV A 1202 source : AC2 8) chain A residue 1081 type sequence D description binding site for residue TSV A 1202 source : AC2 9) chain A residue 1135 type sequence L description binding site for residue TSV A 1202 source : AC2 10) chain A residue 1136 type sequence K description binding site for residue TSV A 1202 source : AC2 11) chain A residue 1137 type sequence G description binding site for residue TSV A 1202 source : AC2 12) chain A residue 1138 type sequence S description binding site for residue TSV A 1202 source : AC2 13) chain A residue 1139 type sequence A description binding site for residue TSV A 1202 source : AC2 14) chain A residue 1154 type sequence F description binding site for residue TSV A 1202 source : AC2 15) chain A residue 1155 type sequence R description binding site for residue TSV A 1202 source : AC2 16) chain A residue 1156 type sequence A description binding site for residue TSV A 1202 source : AC2 17) chain A residue 1157 type sequence A description binding site for residue TSV A 1202 source : AC2 18) chain A residue 1168 type sequence D description binding site for residue TSV A 1202 source : AC2 19) chain A residue 989 type sequence K description binding site for residue SO4 A 1203 source : AC3 20) chain A residue 990 type sequence G description binding site for residue SO4 A 1203 source : AC3 21) chain A residue 1038 type sequence T description binding site for residue SO4 A 1203 source : AC3 22) chain A residue 1039 type sequence A description binding site for residue SO4 A 1203 source : AC3 23) chain A residue 1062 type sequence R description binding site for residue SO4 A 1203 source : AC3 24) chain A residue 1080 type sequence K description binding site for residue SO4 A 1204 source : AC4 25) chain A residue 1121 type sequence D description binding site for residue SO4 A 1204 source : AC4 26) chain A residue 1155 type sequence R description binding site for residue SO4 A 1204 source : AC4 27) chain A residue 1171 type sequence P description binding site for residue SO4 A 1204 source : AC4 28) chain A residue 1174 type sequence S description binding site for residue SO4 A 1204 source : AC4 29) chain A residue 1057 type ACT_SITE sequence H description Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU01166 source Swiss-Prot : SWS_FT_FI1 30) chain A residue 1081 type ACT_SITE sequence D description Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU01166 source Swiss-Prot : SWS_FT_FI1 31) chain A residue 1139 type ACT_SITE sequence A description Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU01166 source Swiss-Prot : SWS_FT_FI1 32) chain A residue 1097 type BINDING sequence C description BINDING => ECO:0000255|PROSITE-ProRule:PRU01166 source Swiss-Prot : SWS_FT_FI2 33) chain A residue 1099 type BINDING sequence C description BINDING => ECO:0000255|PROSITE-ProRule:PRU01166 source Swiss-Prot : SWS_FT_FI2 34) chain A residue 1145 type BINDING sequence C description BINDING => ECO:0000255|PROSITE-ProRule:PRU01166 source Swiss-Prot : SWS_FT_FI2 35) chain A residue 1149 type BINDING sequence H description BINDING => ECO:0000255|PROSITE-ProRule:PRU01166 source Swiss-Prot : SWS_FT_FI2

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