Ligand ID: ROC

Drugbank ID:
Saquinavir
(DB01232)

Indication:
Saquinavir is an HIV protease inhibitor used in combination with other antiretroviral agents for the treatment of HIV-1 with advanced immunodeficiency.

LIST OF BINDING INTERFACES for query 'ROC'

(Click on the 'Details' column to view details on interfaces and similar patterns of amino acids)
(Click on the 'View' column to view patterns on the structural viewer)

DrReposER ID	PDB	Ligand	Drug	Organism	Macromolecule	Pfam	Res.	Interface	HETATM	View	Details
1C6Z_B_ROCB505	1c6z	ROC	Saquinavir (DB01232)	Human immunodeficiency virus 1	PROTEIN (PROTEASE)	RVP	32	ARG A   8 LEU A  23 ASP A  25 GLY A  27 ALA A  28 ASP A  29 ASP A  30 VAL A  32 ILE A  47 GLY A  48 GLY A  49 ILE A  50 THR A  80 PRO A  81 THR A  82 ILE A  84 ARG B 208 ASP B 225 GLY B 227 ALA B 228 ASP B 229 ASP B 230 VAL B 232 ILE B 247 GLY B 248 GLY B 249 ILE B 250 PHE B 253 THR B 280 PRO B 281 THR B 282 ILE B 284	ROC B 505		Details
2NMZ_B_ROCB401	2nmz	ROC	Saquinavir (DB01232)	Human immunodeficiency virus 1	PROTEASE	RVP	33	ARG A   8 LEU A  23 ASP A  25 GLY A  27 ALA A  28 ASP A  29 ASP A  30 VAL A  32 ILE A  47 GLY A  48 GLY A  49 ILE A  50 THR A  80 PRO A  81 ALA A  82 ILE A  84 ARG B 108 LEU B 123 ASP B 125 GLY B 127 ALA B 128 ASP B 129 ASP B 130 VAL B 132 ILE B 147 GLY B 148 GLY B 149 ILE B 150 PHE B 153 THR B 180 PRO B 181 ALA B 182 ILE B 184	ROC B 401		Details
3D1X_A_ROCA201	3d1x	ROC	Saquinavir (DB01232)	Human immunodeficiency virus type 1	HIV-1 PROTEASE	RVP	32	ARG B   8 ARG A   8 LEU B  23 LEU A  23 ASP B  25 ASP A  25 GLY A  27 GLY B  27 ALA B  28 ALA A  28 ASP B  29 ASP A  29 ASP B  30 ASP A  30 VAL B  32 VAL A  32 ILE A  47 ILE B  47 GLY A  48 GLY B  48 GLY A  49 GLY B  49 ILE B  50 ILE A  50 THR A  80 THR B  80 PRO B  81 PRO A  81 VAL B  82 VAL A  82 ILE B  84 ILE A  84	ROC A 201		Details
3PWW_A_ROCA1001	3pww	ROC	Saquinavir (DB01232)	Cryphonectria parasitica	ENDOTHIAPEPSIN	Asp	28	ILE A  10 ASP A  15 ALA A  16 ASP A  33 ASP A  35 GLY A  37 SER A  38 ILE A  77 SER A  78 TYR A  79 GLY A  80 ASP A  81 SER A  83 PHE A 116 ASP A 119 ILE A 122 LEU A 125 LEU A 133 PHE A 194 ILE A 217 ASP A 219 GLY A 221 THR A 222 THR A 223 TYR A 226 ILE A 300 ILE A 302 ILE A 304	ROC A1001		Details
3UFN_A_ROCA401	3ufn	ROC	Saquinavir (DB01232)	Homo sapiens	HIV-1 PROTEASE	RVP	30	ARG B   8 LEU B  23 LEU A  23 ASP B  25 ASP A  25 GLY A  27 GLY B  27 ALA B  28 ALA A  28 ASP A  29 ASN B  30 ASN A  30 ILE B  32 ILE A  32 VAL B  47 VAL A  47 GLY A  48 GLY B  48 GLY A  49 GLY B  49 ILE B  50 ILE A  50 PHE A  53 THR A  80 PRO B  81 PRO A  81 VAL B  82 VAL A  82 VAL B  84 VAL A  84	ROC A 401		Details
3UFN_A_ROCA402	3ufn	ROC	Saquinavir (DB01232)	Homo sapiens	HIV-1 PROTEASE	RVP	7	ARG A   8 PHE A  10 LEU A  23 GLY B  27 ASP B  29 PRO A  81 VAL A  82	ROC A 402		Details
4Q5M_A_ROCA1101	4q5m	ROC	Saquinavir (DB01232)	Human immunodeficiency virus type 1	PROTEASE	RVP	32	ARG A   8 LEU A  23 ASP A  25 GLY A  27 ALA A  28 ASP A  29 ASN A  30 VAL A  32 ILE A  47 GLY A  48 GLY A  49 ILE A  50 THR A  80 PRO A  81 VAL A  82 ILE A  84 ARG A1008 LEU A1023 ASP A1025 GLY A1027 ALA A1028 ASP A1029 ASN A1030 VAL A1032 ILE A1047 GLY A1048 GLY A1049 ILE A1050 THR A1080 PRO A1081 VAL A1082 ILE A1084	ROC A1101		Details
DrReposER ID	PDB	Ligand	Drug	Organism	Macromolecule	Pfam	Res.	Interface	HETATM	View	Details

[["1C6Z_B_ROCB505","1c6z","ROC","Saquinavir (DB01232)","Human immunodeficiency virus 1","PROTEIN (PROTEASE)","RVP",32,"ARG A 8;LEU A 23;ASP A 25;GLY A 27;ALA A 28;ASP A 29;ASP A 30;VAL A 32;ILE A 47;GLY A 48;GLY A 49;ILE A 50;THR A 80;PRO A 81;THR A 82;ILE A 84;ARG B 208;ASP B 225;GLY B 227;ALA B 228;ASP B 229;ASP B 230;VAL B 232;ILE B 247;GLY B 248;GLY B 249;ILE B 250;PHE B 253;THR B 280;PRO B 281;THR B 282;ILE B 284","ROC B 505\r"],["2NMZ_B_ROCB401","2nmz","ROC","Saquinavir (DB01232)","Human immunodeficiency virus 1","PROTEASE","RVP",33,"ARG A 8;LEU A 23;ASP A 25;GLY A 27;ALA A 28;ASP A 29;ASP A 30;VAL A 32;ILE A 47;GLY A 48;GLY A 49;ILE A 50;THR A 80;PRO A 81;ALA A 82;ILE A 84;ARG B 108;LEU B 123;ASP B 125;GLY B 127;ALA B 128;ASP B 129;ASP B 130;VAL B 132;ILE B 147;GLY B 148;GLY B 149;ILE B 150;PHE B 153;THR B 180;PRO B 181;ALA B 182;ILE B 184","ROC B 401\r"],["3D1X_A_ROCA201","3d1x","ROC","Saquinavir (DB01232)","Human immunodeficiency virus type 1","HIV-1 PROTEASE","RVP",32,"ARG B 8;ARG A 8;LEU B 23;LEU A 23;ASP B 25;ASP A 25;GLY A 27;GLY B 27;ALA B 28;ALA A 28;ASP B 29;ASP A 29;ASP B 30;ASP A 30;VAL B 32;VAL A 32;ILE A 47;ILE B 47;GLY A 48;GLY B 48;GLY A 49;GLY B 49;ILE B 50;ILE A 50;THR A 80;THR B 80;PRO B 81;PRO A 81;VAL B 82;VAL A 82;ILE B 84;ILE A 84","ROC A 201\r"],["3PWW_A_ROCA1001","3pww","ROC","Saquinavir (DB01232)","Cryphonectria parasitica","ENDOTHIAPEPSIN","Asp",28,"ILE A 10;ASP A 15;ALA A 16;ASP A 33;ASP A 35;GLY A 37;SER A 38;ILE A 77;SER A 78;TYR A 79;GLY A 80;ASP A 81;SER A 83;PHE A 116;ASP A 119;ILE A 122;LEU A 125;LEU A 133;PHE A 194;ILE A 217;ASP A 219;GLY A 221;THR A 222;THR A 223;TYR A 226;ILE A 300;ILE A 302;ILE A 304","ROC A1001\r"],["3UFN_A_ROCA401","3ufn","ROC","Saquinavir (DB01232)","Homo sapiens","HIV-1 PROTEASE","RVP",30,"ARG B 8;LEU B 23;LEU A 23;ASP B 25;ASP A 25;GLY A 27;GLY B 27;ALA B 28;ALA A 28;ASP A 29;ASN B 30;ASN A 30;ILE B 32;ILE A 32;VAL B 47;VAL A 47;GLY A 48;GLY B 48;GLY A 49;GLY B 49;ILE B 50;ILE A 50;PHE A 53;THR A 80;PRO B 81;PRO A 81;VAL B 82;VAL A 82;VAL B 84;VAL A 84","ROC A 401\r"],["3UFN_A_ROCA402","3ufn","ROC","Saquinavir (DB01232)","Homo sapiens","HIV-1 PROTEASE","RVP",7,"ARG A 8;PHE A 10;LEU A 23;GLY B 27;ASP B 29;PRO A 81;VAL A 82","ROC A 402\r"],["4Q5M_A_ROCA1101","4q5m","ROC","Saquinavir (DB01232)","Human immunodeficiency virus type 1","PROTEASE","RVP",32,"ARG A 8;LEU A 23;ASP A 25;GLY A 27;ALA A 28;ASP A 29;ASN A 30;VAL A 32;ILE A 47;GLY A 48;GLY A 49;ILE A 50;THR A 80;PRO A 81;VAL A 82;ILE A 84;ARG A1008;LEU A1023;ASP A1025;GLY A1027;ALA A1028;ASP A1029;ASN A1030;VAL A1032;ILE A1047;GLY A1048;GLY A1049;ILE A1050;THR A1080;PRO A1081;VAL A1082;ILE A1084","ROC A1101\r"]]