DRUG BINDING INTERFACES MAPPED TO 'SAQUINAVIR'
DrReposER ID | PDB | Ligand | Organism | Macromolecule | Pfam | Res. | Interface | HETATM |
---|---|---|---|---|---|---|---|---|
1C6Z_B_ROCB505 | 1c6z | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEIN (PROTEASE) | PF00077(RVP)no annotation | 27 | ARG A 8ASP A 25GLY A 27ALA A 28ASP A 29ASP A 30VAL A 32ILE A 47GLY A 49ILE A 50PRO A 81THR A 82ILE A 84ARG B 208ASP B 225GLY B 227ALA B 228ASP B 229ASP B 230VAL B 232ILE B 247GLY B 249ILE B 250THR B 280PRO B 281THR B 282ILE B 284 | ROC B 505 |
1FB7_A_ROCA100 | 1fb7 | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | HIV-1 PROTEASE | PF00077(RVP) | 12 | ASP A 25GLY A 27ALA A 28ASP A 29ASP A 30VAL A 48GLY A 49ILE A 50THR A 80PRO A 81VAL A 82ILE A 84 | ROC A 100 |
1HXB_A_ROCA100 | 1hxb | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | HIV-1 PROTEASE | PF00077(RVP)no annotation | 31 | ARG B 8ARG A 8LEU B 23ASP A 25ASP B 25GLY A 27GLY B 27ALA B 28ALA A 28ASP A 29ASP B 29ASP B 30ASP A 30VAL A 32VAL B 32ILE A 47ILE B 47GLY A 48GLY B 48GLY A 49GLY B 49ILE B 50ILE A 50THR A 80THR B 80PRO A 81PRO B 81VAL A 82VAL B 82ILE A 84ILE B 84 | ROC A 100 |
2NMY_A_ROCA401 | 2nmy | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE | PF00077(RVP)no annotation | 27 | ARG A 8ASP A 25GLY A 27ALA A 28ASP A 29ASP A 30ILE A 47GLY A 49ILE A 50THR A 80PRO A 81ILE A 84ARG B 108LEU B 123ASP B 125GLY B 127ALA B 128ASP B 129ASP B 130ILE B 147GLY B 148GLY B 149ILE B 150THR B 180PRO B 181ALA B 182ILE B 184 | ROC A 401 |
2NMZ_B_ROCB401 | 2nmz | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE | PF00077(RVP)no annotation | 29 | ARG A 8LEU A 23ASP A 25GLY A 27ALA A 28ASP A 29ASP A 30VAL A 32ILE A 47GLY A 49ILE A 50THR A 80PRO A 81ALA A 82ILE A 84ARG B 108LEU B 123ASP B 125GLY B 127ALA B 128ASP B 129ASP B 130ILE B 147GLY B 149ILE B 150THR B 180PRO B 181ALA B 182ILE B 184 | ROC B 401 |
2NNK_A_ROCA401 | 2nnk | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE | PF00077(RVP)no annotation | 28 | ARG A 8LEU A 23ASP A 25GLY A 27ALA A 28ASP A 29ASP A 30VAL A 32ILE A 47GLY A 49ILE A 50THR A 80PRO A 81VAL A 82VAL A 84ARG B 108LEU B 123ASP B 125GLY B 127ASP B 129ASP B 130ILE B 147GLY B 149ILE B 150THR B 180PRO B 181VAL B 182VAL B 184 | ROC A 401 |
2NNP_A_ROCA401 | 2nnp | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE | PF00077(RVP)no annotation | 22 | ASP A 25GLY A 27ALA A 28ASP A 29ASP A 30ILE A 47GLY A 49ILE A 50THR A 80PRO A 81VAL A 82ARG B 108LEU B 123ASP B 125ALA B 128VAL B 132ILE B 147GLY B 149ILE B 150PRO B 181VAL B 182VAL B 184 | ROC A 401 |
3CYX_A_ROCA201 | 3cyx | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | HIV-1 PROTEASE | PF00077(RVP)no annotation | 31 | ARG B 8ARG A 8LEU A 23LEU B 23ASP A 25ASP B 25GLY A 27GLY B 27ALA B 28ALA A 28ASP A 29ASP B 29ASP B 30ASP A 30VAL B 32VAL A 32ILE A 47ILE B 47GLY B 48GLY A 49GLY B 49VAL B 50VAL A 50THR A 80THR B 80PRO A 81PRO B 81VAL A 82VAL B 82ILE A 84ILE B 84 | ROC A 201 |
3D1X_A_ROCA201 | 3d1x | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | HIV-1 PROTEASE | PF00077(RVP)no annotation | 27 | ARG B 8ARG A 8LEU B 23ASP A 25ASP B 25GLY A 27GLY B 27ALA B 28ALA A 28ASP A 29ASP B 29ASP B 30ASP A 30ILE A 47ILE B 47GLY A 49GLY B 49ILE B 50ILE A 50THR A 80THR B 80PRO A 81PRO B 81VAL A 82VAL B 82ILE A 84ILE B 84 | ROC A 201 |
3D1Y_A_ROCA201 | 3d1y | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | HIV-1 PROTEASE | PF00077(RVP)no annotation | 21 | ASP A 25GLY A 27ALA A 28ASP A 29ASP A 30ILE A 47GLY A 49ILE A 50THR A 80PRO A 81VAL A 82ILE A 84ARG B 108LEU B 123ASP B 125ILE B 147GLY B 149ILE B 150PRO B 181VAL B 182ILE B 184 | ROC A 201 |
3EKQ_A_ROCA100 | 3ekq | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE | PF00077(RVP)no annotation | 22 | ARG B 8LEU B 23ASP A 25ASP B 25GLY A 27ALA A 28ASP A 29ASP A 30VAL B 32ILE B 47ILE A 47VAL A 48GLY A 49GLY B 49ILE B 50ILE A 50THR A 80PRO B 81PRO A 81THR A 82ILE A 84ILE B 84 | ROC A 100 |
3EL4_A_ROCA100 | 3el4 | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE | PF00077(RVP)no annotation | 21 | ARG B 8ASP A 25ASP B 25GLY A 27ALA B 28ALA A 28ASP A 29ASP A 30VAL B 32ILE A 47ILE B 47GLY B 49GLY A 49ILE B 50ILE A 50THR A 80PRO A 81PRO B 81THR A 82THR B 82VAL A 84 | ROC A 100 |
3K4V_B_ROCB201 | 3k4v | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | HIV-1 PROTEASE | PF00077(RVP)no annotation | 32 | TRP C 6ARG B 8ARG A 8LEU A 23LEU B 23ASP A 25ASP B 25GLY A 27GLY B 27ALA B 28ALA A 28ASP A 29ASP B 29ASP B 30ASP A 30VAL B 32VAL A 32ILE A 47ILE B 47GLY B 48GLY A 49GLY B 49ILE B 50ILE A 50THR A 80THR B 80PRO A 81PRO B 81VAL A 82VAL B 82ILE A 84ILE B 84 | ROC B 201 |
3K4V_D_ROCD201 | 3k4v | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | HIV-1 PROTEASE | PF00077(RVP)no annotation | 31 | ARG D 8ARG C 8LEU C 23LEU D 23ASP D 25ASP C 25GLY C 27GLY D 27ALA C 28ALA D 28ASP D 29ASP C 29ASP C 30ASP D 30VAL C 32VAL D 32ILE D 47ILE C 47GLY C 48GLY D 49GLY C 49ILE D 50ILE C 50THR D 80THR C 80PRO D 81PRO C 81VAL D 82VAL C 82ILE D 84ILE C 84 | ROC D 201 |
3N3I_A_ROCA201 | 3n3i | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE | PF00077(RVP) | 18 | ASP A 25GLY A 27ALA A 28ASP A 29ASP A 30ILE A 47GLY A 49ILE A 50PRO A 81VAL A 82ARG A1008ASP A1025ALA A1028ASP A1030ILE A1047GLY A1049ILE A1050VAL A1082 | ROC A 201 |
3NDT_A_ROCA101 | 3ndt | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE | PF00077(RVP)no annotation | 30 | TRP C 6ARG B 9ARG A 9LEU A 24LEU B 24ASP A 26ASP B 26GLY A 28GLY B 28ALA B 29ALA A 29ASP B 30ASP A 30ASP B 31ASP A 31VAL A 33ILE B 48ILE A 48GLY A 50GLY B 50ILE B 51ILE A 51THR A 81THR B 81PRO B 82PRO A 82VAL A 83VAL B 83ILE A 85ILE B 85 | ROC A 101 |
3NDT_D_ROCD100 | 3ndt | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE | no annotation | 28 | ARG D 8ARG C 8LEU C 23LEU D 23ASP D 25ASP C 25GLY C 27GLY D 27ALA C 28ALA D 28ASP D 29ASP C 29ASP C 30ASP D 30VAL D 32ILE C 47GLY D 49GLY C 49ILE D 50ILE C 50THR D 80THR C 80PRO D 81PRO C 81VAL D 82VAL C 82ILE D 84ILE C 84 | ROC D 100 |
3NDU_A_ROCA101 | 3ndu | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE | PF00077(RVP)no annotation | 29 | TRP C 6ARG B 9ARG A 9LEU A 24LEU B 24ASP A 26ASP B 26GLY A 28GLY B 28ALA B 29ALA A 29ASP B 30ASP A 30ASP B 31ASP A 31ILE B 48ILE A 48GLY A 50GLY B 50ILE B 51ILE A 51THR A 81THR B 81PRO B 82PRO A 82VAL A 83VAL B 83ILE A 85ILE B 85 | ROC A 101 |
3NDU_D_ROCD100 | 3ndu | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE | no annotation | 29 | ARG D 8ARG C 8LEU C 23LEU D 23ASP D 25ASP C 25GLY C 27GLY D 27ALA D 28ASP D 29ASP C 29ASP C 30ASP D 30VAL C 32VAL D 32ILE D 47ILE C 47GLY D 49GLY C 49ILE D 50ILE C 50THR D 80THR C 80PRO D 81PRO C 81VAL D 82VAL C 82ILE D 84ILE C 84 | ROC D 100 |
3OXC_A_ROCA401 | 3oxc | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE | PF00077(RVP)no annotation | 29 | ARG A 8LEU A 23ASP A 25GLY A 27ALA A 28ASP A 29ASP A 30VAL A 32ILE A 47GLY A 49ILE A 50THR A 80PRO A 81VAL A 82ILE A 84ARG B 108LEU B 123ASP B 125GLY B 127ALA B 128ASP B 129ASP B 130ILE B 147GLY B 149ILE B 150THR B 180PRO B 181VAL B 182ILE B 184 | ROC A 401 |
3PWR_A_ROCA401 | 3pwr | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE | PF00077(RVP)no annotation | 29 | ARG A 8LEU A 23ASP A 25GLY A 27ALA A 28ASP A 29ASP A 30VAL A 32ILE A 47GLY A 49ILE A 50THR A 80PRO A 81VAL A 82ILE A 84ARG B 108LEU B 123ASP B 125GLY B 127ALA B 128ASP B 129ASP B 130VAL B 132ILE B 147GLY B 149ILE B 150PRO B 181VAL B 182ILE B 184 | ROC A 401 |
3PWW_A_ROCA1001 | 3pww | ROC DB01232(Saquinavir) | Cryphonectriaparasitica | ENDOTHIAPEPSIN | PF00026(Asp) | 20 | ILE A 10ASP A 15ASP A 33ASP A 35GLY A 37SER A 38ILE A 77TYR A 79GLY A 80ASP A 81SER A 83PHE A 116LEU A 125PHE A 194ILE A 217ASP A 219THR A 222THR A 223TYR A 226ILE A 304 | ROC A1001 |
3S56_A_ROCA201 | 3s56 | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE | PF00077(RVP)no annotation | 21 | ARG B 8LEU B 23ASP A 25ASP B 25GLY A 27ALA A 28ASP A 29ASP A 30ASP B 30ILE A 32VAL A 47GLY B 49GLY A 49ILE A 50ILE B 50THR A 80PRO A 81PRO B 81ILE B 82ILE A 82ILE B 84 | ROC A 201 |
3S56_B_ROCB203 | 3s56 | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE | no annotation | 7 | ARG B 8LEU B 10GLU B 21LEU B 23GLU B 34PRO B 81ILE B 82 | ROC B 203 |
3TKG_B_ROCB801 | 3tkg | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE | PF00077(RVP)no annotation | 29 | ARG B 8ARG A 8LEU A 23LEU B 23ASP A 25ASP B 25GLY A 27GLY B 27ALA B 28ALA A 28ASP A 29ASP B 29ASP B 30ASP A 30ILE A 47ILE B 47GLY B 48GLY A 49GLY B 49ILE B 50ILE A 50THR A 80THR B 80PRO A 81PRO B 81VAL A 82VAL B 82ILE A 84ILE B 84 | ROC B 801 |
3TKG_C_ROCC901 | 3tkg | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE | no annotation | 28 | ARG D 8ARG C 8LEU D 23ASP D 25ASP C 25GLY C 27GLY D 27ALA C 28ALA D 28ASP D 29ASP C 29ASP C 30ASP D 30VAL D 32ILE D 47ILE C 47GLY D 49GLY C 49ILE D 50ILE C 50THR D 80THR C 80PRO D 81PRO C 81VAL D 82VAL C 82ILE D 84ILE C 84 | ROC C 901 |
3TL9_A_ROCA401 | 3tl9 | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE | PF00077(RVP)no annotation | 31 | ARG B 8ARG A 8LEU A 23LEU B 23ASP A 25ASP B 25GLY A 27GLY B 27ALA B 28ALA A 28ASP A 29ASP B 29ASP B 30ASP A 30VAL B 32VAL A 32ILE A 47ILE B 47GLY B 48GLY A 49GLY B 49ILE B 50ILE A 50THR A 80THR B 80PRO A 81PRO B 81VAL A 82VAL B 82ILE A 84ILE B 84 | ROC A 401 |
3UFN_A_ROCA401 | 3ufn | ROC DB01232(Saquinavir) | Homo sapiens | HIV-1 PROTEASE | PF00077(RVP)no annotation | 18 | ARG B 8ASP A 25ASP B 25GLY A 27ALA A 28ASP A 29ASN A 30VAL A 47VAL B 47GLY A 48GLY B 49GLY A 49ILE A 50ILE B 50THR A 80PRO A 81VAL B 82VAL B 84 | ROC A 401 |
3UFN_A_ROCA402 | 3ufn | ROC DB01232(Saquinavir) | Homo sapiens | HIV-1 PROTEASE | PF00077(RVP)no annotation | 5 | ARG A 8LEU A 23ASP B 29PRO A 81VAL A 82 | ROC A 402 |
4Q5M_A_ROCA1101 | 4q5m | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE | PF00077(RVP) | 27 | ARG A 8ASP A 25GLY A 27ALA A 28ASP A 29ASN A 30VAL A 32ILE A 47GLY A 49ILE A 50THR A 80PRO A 81VAL A 82ILE A 84ARG A1008ASP A1025GLY A1027ASP A1029ASN A1030VAL A1032ILE A1047GLY A1049ILE A1050THR A1080PRO A1081VAL A1082ILE A1084 | ROC A1101 |
4QGI_A_ROCA101 | 4qgi | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE | PF00077(RVP)no annotation | 22 | ARG B 8LEU B 23ASP A 25ASP B 25GLY A 27ALA B 28ALA A 28ASP A 29ASP A 30VAL B 32ILE B 47ILE A 47THR A 48GLY A 49GLY B 49ILE B 50ILE A 50THR A 80PRO B 81VAL A 82VAL B 82ILE B 84 | ROC A 101 |
5KQX_A_ROCA101 | 5kqx | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE E35D-SQV | PF00077(RVP)no annotation | 21 | ARG B 8LEU B 23ASN A 25ASN B 25GLY A 27ALA A 28ASP A 29ASP A 30VAL B 32ILE A 47ILE B 47GLY B 49GLY A 49ILE B 50ILE A 50THR A 80PRO A 81PRO B 81VAL A 82ILE A 84ILE B 84 | ROC A 101 |
5KR2_A_ROCA101 | 5kr2 | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE PR5-SQV | PF00077(RVP)no annotation | 20 | ARG B 8LEU B 23ASN A 25ASN B 25ALA A 28ALA B 28ASP A 29ASP A 30ASP B 30ILE A 47ILE B 47GLY B 49GLY A 49ILE B 50ILE A 50THR A 80PRO A 81PRO B 81VAL B 82ILE B 84 | ROC A 101 |
5KR2_C_ROCC101 | 5kr2 | ROC DB01232(Saquinavir) | Humanimmunodeficiencyvirus 1 | PROTEASE PR5-SQV | no annotation | 18 | ARG D 8LEU D 23ASN D 25ASN C 25ALA C 28ASP C 29ASP C 30ILE D 47ILE C 47GLY D 49GLY C 49ILE D 50ILE C 50THR C 80PRO C 81PRO D 81VAL D 82ILE D 84 | ROC C 101 |