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DrReposER ID	PDB	Ligand	Organism	Macromolecule	Pfam	Res.	Interface	HETATM
1RL8_A_RITA9001	1rl8	RIT DB00503 (Ritonavir)	Human immunodeficiency virus 1	PROTEASE RETROPEPSIN	PF00077 (RVP) no annotation	24	ARG B 8 ARG A 8 LEU B 23 ASP A 25 ASP B 25 GLY A 27 GLY B 27 ALA B 28 ALA A 28 ASP A 29 ASP B 29 ASP B 30 ASP A 30 VAL A 32 GLY A 49 GLY B 49 ILE B 50 ILE A 50 PRO B 81 PRO A 81 ALA B 82 ALA A 82 ILE A 84 ILE B 84	RIT A9001
1SDT_B_MK1B902	1sdt	MK1 DB00224 (Indinavir)	Human immunodeficiency virus 1	PROTEASE RETROPEPSIN	PF00077 (RVP) no annotation	22	ARG A 8 LEU A 23 ASP A 25 ILE A 47 GLY A 48 GLY A 49 ILE A 50 PRO A 81 VAL A 82 ILE A 84 ASP B 125 GLY B 127 ALA B 128 ASP B 129 ASP B 130 VAL B 132 ILE B 147 GLY B 149 ILE B 150 PRO B 181 VAL B 182 ILE B 184	MK1 B 902
1SDU_B_MK1B902	1sdu	MK1 DB00224 (Indinavir)	Human immunodeficiency virus 1	PROTEASE RETROPEPSIN	PF00077 (RVP) no annotation	24	ARG A 8 LEU A 23 ASP A 25 ALA A 28 ILE A 47 GLY A 48 GLY A 49 ILE A 50 PRO A 81 VAL A 82 ILE A 84 ARG B 108 ASP B 125 GLY B 127 ALA B 128 ASP B 129 ASP B 130 VAL B 132 ILE B 147 GLY B 149 ILE B 150 PRO B 181 VAL B 182 ILE B 184	MK1 B 902
1SDV_B_MK1B902	1sdv	MK1 DB00224 (Indinavir)	Human immunodeficiency virus 1	PROTEASE RETROPEPSIN	PF00077 (RVP) no annotation	21	ARG A 8 LEU A 23 ASP A 25 ALA A 28 ILE A 47 GLY A 48 GLY A 49 ILE A 50 PRO A 81 ILE A 84 ASP B 125 GLY B 127 ALA B 128 ASP B 129 ASP B 130 VAL B 132 ILE B 147 GLY B 149 ILE B 150 PRO B 181 ILE B 184	MK1 B 902
1T3R_A_017A1200	1t3r	017 DB01264 (Darunavir)	Human immunodeficiency virus 1	PROTEASE RETROPEPSIN	PF00077 (RVP) no annotation	21	ARG B 8 LEU B 23 LEU A 23 ASP B 25 ASP A 25 GLY A 27 ALA B 28 ALA A 28 ASP A 29 ASP A 30 ASP B 30 VAL B 32 ILE A 47 GLY B 49 GLY A 49 ILE B 50 ILE A 50 PRO B 81 VAL A 82 VAL B 82 ILE B 84	017 A1200
2PYM_A_1UNA1001	2pym	1UN DB00220 (Nelfinavir)	Human immunodeficiency virus 1	PROTEASE RETROPEPSIN	PF00077 (RVP) no annotation	29	ARG B 8 ARG A 8 LEU A 23 LEU B 23 ASP A 25 ASP B 25 GLY A 27 GLY B 27 ALA B 28 ALA A 28 ASP A 29 ASP B 29 ASN A 30 ASN B 30 VAL B 32 VAL A 32 ILE B 47 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 A 82 VAL B 82 ILE A 84 ILE B 84	1UN A1001
2PYN_A_1UNA1001	2pyn	1UN DB00220 (Nelfinavir)	Human immunodeficiency virus 1	PROTEASE RETROPEPSIN	PF00077 (RVP) no annotation	29	ARG B 8 LEU A 23 LEU B 23 ASP A 25 ASP B 25 GLY A 27 GLY B 27 ALA B 28 ALA A 28 ASP A 29 ASP B 29 ASN A 30 ASN B 30 VAL B 32 VAL A 32 ILE A 47 ILE B 47 GLY A 49 GLY B 49 ILE B 50 ILE A 50 THR A 80 THR B 80 PRO A 81 PRO B 81 VAL A 82 VAL B 82 ILE A 84 ILE B 84	1UN A1001
2Q63_A_1UNA1001	2q63	1UN DB00220 (Nelfinavir)	Human immunodeficiency virus 1	PROTEASE RETROPEPSIN	PF00077 (RVP) no annotation	30	ARG B 8 ARG A 8 LEU A 23 LEU B 23 ASP A 25 ASP B 25 GLY A 27 GLY B 27 ALA B 28 ALA A 28 ASP A 29 ASP B 29 ASN A 30 ASN B 30 VAL B 32 VAL A 32 ILE A 47 ILE B 47 GLY A 49 GLY B 49 ILE B 50 ILE A 50 THR A 80 THR B 80 PRO A 81 PRO B 81 VAL A 82 VAL B 82 ILE A 84 ILE B 84	1UN A1001
2Q64_B_1UNB1001	2q64	1UN DB00220 (Nelfinavir)	Human immunodeficiency virus 1	PROTEASE RETROPEPSIN	PF00077 (RVP) no annotation	30	ARG B 8 ARG A 8 LEU A 23 LEU B 23 ASP A 25 ASP B 25 GLY A 27 GLY B 27 ALA B 28 ALA A 28 ASP A 29 ASP B 29 ASN A 30 ASN B 30 VAL B 32 VAL A 32 ILE A 47 ILE B 47 GLY A 49 GLY B 49 ILE B 50 ILE A 50 THR A 80 THR B 80 PRO A 81 PRO B 81 VAL A 82 VAL B 82 ILE A 84 ILE B 84	1UN B1001
2QAK_A_1UNA1001	2qak	1UN DB00220 (Nelfinavir)	Human immunodeficiency virus 1	PROTEASE RETROPEPSIN	PF00077 (RVP) no annotation	30	ARG B 8 ARG A 8 LEU A 23 LEU B 23 ASP A 25 ASP B 25 GLY A 27 GLY B 27 ALA B 28 ALA A 28 ASP A 29 ASP B 29 ASN A 30 ASN B 30 VAL B 32 VAL A 32 ILE A 47 ILE B 47 GLY A 49 GLY B 49 ILE B 50 ILE A 50 THR A 80 THR B 80 PRO A 81 PRO B 81 VAL A 82 VAL B 82 ILE A 84 ILE B 84	1UN A1001
2QHC_B_AB1B9001	2qhc	AB1 DB01601 (Lopinavir)	Human immunodeficiency virus 1	PROTEASE RETROPEPSIN	PF00077 (RVP) no annotation	23	ARG B 8 ARG A 8 ASP A 25 ASP B 25 GLY B 27 ALA B 28 ALA A 28 ASP A 29 ASP B 29 ASP B 30 ASP A 30 VAL B 32 VAL A 32 GLY A 49 GLY B 49 ILE B 50 ILE A 50 PRO B 81 PRO A 81 VAL A 82 VAL B 82 ILE A 84 ILE B 84	AB1 B9001
2RKF_A_AB1A501	2rkf	AB1 DB01601 (Lopinavir)	Human immunodeficiency virus 1	PROTEASE RETROPEPSIN	PF00077 (RVP) no annotation	25	ARG A 8 LEU A 23 LEU B 23 ASP A 25 ASP B 25 GLY A 27 GLY B 27 ALA B 28 ALA A 28 ASP A 29 ASP B 29 ASP B 30 ASP A 30 ILE B 32 ILE A 32 GLY A 49 GLY B 49 ILE B 50 ILE A 50 PRO B 81 PRO A 81 ALA B 82 ALA A 82 ILE A 84 ILE B 84	AB1 A 501
2RKG_B_AB1B501	2rkg	AB1 DB01601 (Lopinavir)	Human immunodeficiency virus 1	PROTEASE RETROPEPSIN	PF00077 (RVP) no annotation	24	LEU A 23 LEU B 23 ASP A 25 ASP B 25 GLY A 27 GLY B 27 ALA B 28 ALA A 28 ASP A 29 ASP B 29 ASP B 30 ASP A 30 ILE B 32 ILE A 32 VAL A 48 VAL B 48 GLY A 50 GLY B 50 ILE B 51 ILE A 51 PRO B 82 PRO A 82 ILE A 85 ILE B 85	AB1 B 501
3AI8_A_HNQA255	3ai8	HNQ DB01422 (Nitroxoline)	Homo sapiens	CATHEPSIN B	PF00112 (Peptidase_C1)	7	GLN A 23 GLY A 27 HIS A 110 HIS A 111 CYS A 119 HIS A 199 TRP A 221	HNQ A 255
3AI8_B_HNQB255	3ai8	HNQ DB01422 (Nitroxoline)	Homo sapiens	CATHEPSIN B	no annotation	6	GLN B 23 GLY B 27 HIS B 110 HIS B 111 CYS B 119 TRP B 221	HNQ B 255
3BVB_B_017B401	3bvb	017 DB01264 (Darunavir)	Human immunodeficiency virus 1	PROTEASE (RETROPEPSIN)	PF00077 (RVP) no annotation	26	ARG A 8 LEU A 23 LEU B 23 ASN B 25 ASN A 25 GLY A 27 GLY B 27 ALA B 28 ALA A 28 ASP A 29 ASP B 29 ASP B 30 ASP A 30 VAL B 32 VAL A 32 ILE A 47 GLY A 49 GLY B 49 ILE B 50 ILE A 50 PRO A 81 PRO B 81 VAL A 82 VAL B 82 ILE A 84 ILE B 84	017 B 401
3PRS_A_RITA1001	3prs	RIT DB00503 (Ritonavir)	Cryphonectria parasitica	ENDOTHIAPEPSIN	PF00026 (Asp)	22	ILE A 10 ASP A 11 ASP A 15 ALA A 16 ASP A 33 ASP A 35 GLY A 37 ILE A 77 TYR A 79 GLY A 80 ASP A 81 ASP A 119 LEU A 125 THR A 135 PHE A 194 ILE A 217 ASP A 219 THR A 222 THR A 223 TYR A 226 ILE A 300 ILE A 304	RIT A1001
3PWW_A_ROCA1001	3pww	ROC DB01232 (Saquinavir)	Cryphonectria parasitica	ENDOTHIAPEPSIN	PF00026 (Asp)	20	ILE A 10 ASP A 15 ASP A 33 ASP A 35 GLY A 37 SER A 38 ILE A 77 TYR A 79 GLY A 80 ASP A 81 SER A 83 PHE A 116 LEU A 125 PHE A 194 ILE A 217 ASP A 219 THR A 222 THR A 223 TYR A 226 ILE A 304	ROC A1001
3Q70_A_RITA2001	3q70	RIT DB00503 (Ritonavir)	Candida albicans	CANDIDAPEPSIN-2	PF00026 (Asp)	18	THR A 13 ILE A 30 ASP A 32 GLY A 34 SER A 35 ILE A 82 TYR A 84 GLY A 85 SER A 88 ILE A 119 ASP A 120 ASN A 131 GLU A 193 ASP A 218 THR A 221 THR A 222 TYR A 225 ILE A 305	RIT A2001
4Y4D_A_CFFA411	4y4d	CFF DB00201 (Caffeine)	Cryphonectria parasitica	ENDOTHIAPEPSIN	PF00026 (Asp)	6	LEU A 13 ASP A 15 LEU A 224 PHE A 280 ILE A 283 PHE A 291	CFF A 411
4Y4J_A_LNRA412	4y4j	LNR DB00368 (Norepinephrine)	Cryphonectria parasitica	ENDOTHIAPEPSIN	PF00026 (Asp)	9	ASP A 33 ASP A 35 TYR A 79 ASP A 81 SER A 83 SER A 115 PHE A 116 ASP A 119 LEU A 125	LNR A 412

[["1RL8_A_RITA9001","1rl8","RIT","DB00503(Ritonavir)","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP);no annotation",24,"ARG B   8;ARG A   8;LEU B  23;ASP A  25;ASP B  25;GLY A  27;GLY B  27;ALA B  28;ALA A  28;ASP A  29;ASP B  29;ASP B  30;ASP A  30;VAL A  32;GLY A  49;GLY B  49;ILE B  50;ILE A  50;PRO B  81;PRO A  81;ALA B  82;ALA A  82;ILE A  84;ILE B  84","RIT A9001\r"],["1SDT_B_MK1B902","1sdt","MK1","DB00224(Indinavir)","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP);no annotation",22,"ARG A   8;LEU A  23;ASP A  25;ILE A  47;GLY A  48;GLY A  49;ILE A  50;PRO A  81;VAL A  82;ILE A  84;ASP B 125;GLY B 127;ALA B 128;ASP B 129;ASP B 130;VAL B 132;ILE B 147;GLY B 149;ILE B 150;PRO B 181;VAL B 182;ILE B 184","MK1 B 902\r"],["1SDU_B_MK1B902","1sdu","MK1","DB00224(Indinavir)","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP);no annotation",24,"ARG A   8;LEU A  23;ASP A  25;ALA A  28;ILE A  47;GLY A  48;GLY A  49;ILE A  50;PRO A  81;VAL A  82;ILE A  84;ARG B 108;ASP B 125;GLY B 127;ALA B 128;ASP B 129;ASP B 130;VAL B 132;ILE B 147;GLY B 149;ILE B 150;PRO B 181;VAL B 182;ILE B 184","MK1 B 902\r"],["1SDV_B_MK1B902","1sdv","MK1","DB00224(Indinavir)","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP);no annotation",21,"ARG A   8;LEU A  23;ASP A  25;ALA A  28;ILE A  47;GLY A  48;GLY A  49;ILE A  50;PRO A  81;ILE A  84;ASP B 125;GLY B 127;ALA B 128;ASP B 129;ASP B 130;VAL B 132;ILE B 147;GLY B 149;ILE B 150;PRO B 181;ILE B 184","MK1 B 902\r"],["1T3R_A_017A1200","1t3r","017","DB01264(Darunavir)","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP);no annotation",21,"ARG B   8;LEU B  23;LEU A  23;ASP B  25;ASP A  25;GLY A  27;ALA B  28;ALA A  28;ASP A  29;ASP A  30;ASP B  30;VAL B  32;ILE A  47;GLY B  49;GLY A  49;ILE B  50;ILE A  50;PRO B  81;VAL A  82;VAL B  82;ILE B  84","017 A1200\r"],["2PYM_A_1UNA1001","2pym","1UN","DB00220(Nelfinavir)","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP);no annotation",29,"ARG B   8;ARG A   8;LEU A  23;LEU B  23;ASP A  25;ASP B  25;GLY A  27;GLY B  27;ALA B  28;ALA A  28;ASP A  29;ASP B  29;ASN A  30;ASN B  30;VAL B  32;VAL A  32;ILE B  47;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 A  82;VAL B  82;ILE A  84;ILE B  84","1UN A1001\r"],["2PYN_A_1UNA1001","2pyn","1UN","DB00220(Nelfinavir)","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP);no annotation",29,"ARG B   8;LEU A  23;LEU B  23;ASP A  25;ASP B  25;GLY A  27;GLY B  27;ALA B  28;ALA A  28;ASP A  29;ASP B  29;ASN A  30;ASN B  30;VAL B  32;VAL A  32;ILE A  47;ILE B  47;GLY A  49;GLY B  49;ILE B  50;ILE A  50;THR A  80;THR B  80;PRO A  81;PRO B  81;VAL A  82;VAL B  82;ILE A  84;ILE B  84","1UN A1001\r"],["2Q63_A_1UNA1001","2q63","1UN","DB00220(Nelfinavir)","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP);no annotation",30,"ARG B   8;ARG A   8;LEU A  23;LEU B  23;ASP A  25;ASP B  25;GLY A  27;GLY B  27;ALA B  28;ALA A  28;ASP A  29;ASP B  29;ASN A  30;ASN B  30;VAL B  32;VAL A  32;ILE A  47;ILE B  47;GLY A  49;GLY B  49;ILE B  50;ILE A  50;THR A  80;THR B  80;PRO A  81;PRO B  81;VAL A  82;VAL B  82;ILE A  84;ILE B  84","1UN A1001\r"],["2Q64_B_1UNB1001","2q64","1UN","DB00220(Nelfinavir)","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP);no annotation",30,"ARG B   8;ARG A   8;LEU A  23;LEU B  23;ASP A  25;ASP B  25;GLY A  27;GLY B  27;ALA B  28;ALA A  28;ASP A  29;ASP B  29;ASN A  30;ASN B  30;VAL B  32;VAL A  32;ILE A  47;ILE B  47;GLY A  49;GLY B  49;ILE B  50;ILE A  50;THR A  80;THR B  80;PRO A  81;PRO B  81;VAL A  82;VAL B  82;ILE A  84;ILE B  84","1UN B1001\r"],["2QAK_A_1UNA1001","2qak","1UN","DB00220(Nelfinavir)","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP);no annotation",30,"ARG B   8;ARG A   8;LEU A  23;LEU B  23;ASP A  25;ASP B  25;GLY A  27;GLY B  27;ALA B  28;ALA A  28;ASP A  29;ASP B  29;ASN A  30;ASN B  30;VAL B  32;VAL A  32;ILE A  47;ILE B  47;GLY A  49;GLY B  49;ILE B  50;ILE A  50;THR A  80;THR B  80;PRO A  81;PRO B  81;VAL A  82;VAL B  82;ILE A  84;ILE B  84","1UN A1001\r"],["2QHC_B_AB1B9001","2qhc","AB1","DB01601(Lopinavir)","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP);no annotation",23,"ARG B   8;ARG A   8;ASP A  25;ASP B  25;GLY B  27;ALA B  28;ALA A  28;ASP A  29;ASP B  29;ASP B  30;ASP A  30;VAL B  32;VAL A  32;GLY A  49;GLY B  49;ILE B  50;ILE A  50;PRO B  81;PRO A  81;VAL A  82;VAL B  82;ILE A  84;ILE B  84","AB1 B9001\r"],["2RKF_A_AB1A501","2rkf","AB1","DB01601(Lopinavir)","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP);no annotation",25,"ARG A   8;LEU A  23;LEU B  23;ASP A  25;ASP B  25;GLY A  27;GLY B  27;ALA B  28;ALA A  28;ASP A  29;ASP B  29;ASP B  30;ASP A  30;ILE B  32;ILE A  32;GLY A  49;GLY B  49;ILE B  50;ILE A  50;PRO B  81;PRO A  81;ALA B  82;ALA A  82;ILE A  84;ILE B  84","AB1 A 501\r"],["2RKG_B_AB1B501","2rkg","AB1","DB01601(Lopinavir)","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP);no annotation",24,"LEU A  23;LEU B  23;ASP A  25;ASP B  25;GLY A  27;GLY B  27;ALA B  28;ALA A  28;ASP A  29;ASP B  29;ASP B  30;ASP A  30;ILE B  32;ILE A  32;VAL A  48;VAL B  48;GLY A  50;GLY B  50;ILE B  51;ILE A  51;PRO B  82;PRO A  82;ILE A  85;ILE B  85","AB1 B 501\r"],["3AI8_A_HNQA255","3ai8","HNQ","DB01422(Nitroxoline)","Homo sapiens","CATHEPSIN B","PF00112(Peptidase_C1)",7,"GLN A  23;GLY A  27;HIS A 110;HIS A 111;CYS A 119;HIS A 199;TRP A 221","HNQ A 255\r"],["3AI8_B_HNQB255","3ai8","HNQ","DB01422(Nitroxoline)","Homo sapiens","CATHEPSIN B","no annotation",6,"GLN B  23;GLY B  27;HIS B 110;HIS B 111;CYS B 119;TRP B 221","HNQ B 255\r"],["3BVB_B_017B401","3bvb","017","DB01264(Darunavir)","Human immunodeficiency virus 1","PROTEASE (RETROPEPSIN)","PF00077(RVP);no annotation",26,"ARG A   8;LEU A  23;LEU B  23;ASN B  25;ASN A  25;GLY A  27;GLY B  27;ALA B  28;ALA A  28;ASP A  29;ASP B  29;ASP B  30;ASP A  30;VAL B  32;VAL A  32;ILE A  47;GLY A  49;GLY B  49;ILE B  50;ILE A  50;PRO A  81;PRO B  81;VAL A  82;VAL B  82;ILE A  84;ILE B  84","017 B 401\r"],["3PRS_A_RITA1001","3prs","RIT","DB00503(Ritonavir)","Cryphonectria parasitica","ENDOTHIAPEPSIN","PF00026(Asp)",22,"ILE A  10;ASP A  11;ASP A  15;ALA A  16;ASP A  33;ASP A  35;GLY A  37;ILE A  77;TYR A  79;GLY A  80;ASP A  81;ASP A 119;LEU A 125;THR A 135;PHE A 194;ILE A 217;ASP A 219;THR A 222;THR A 223;TYR A 226;ILE A 300;ILE A 304","RIT A1001\r"],["3PWW_A_ROCA1001","3pww","ROC","DB01232(Saquinavir)","Cryphonectria parasitica","ENDOTHIAPEPSIN","PF00026(Asp)",20,"ILE A  10;ASP A  15;ASP A  33;ASP A  35;GLY A  37;SER A  38;ILE A  77;TYR A  79;GLY A  80;ASP A  81;SER A  83;PHE A 116;LEU A 125;PHE A 194;ILE A 217;ASP A 219;THR A 222;THR A 223;TYR A 226;ILE A 304","ROC A1001\r"],["3Q70_A_RITA2001","3q70","RIT","DB00503(Ritonavir)","Candida albicans","CANDIDAPEPSIN-2","PF00026(Asp)",18,"THR A  13;ILE A  30;ASP A  32;GLY A  34;SER A  35;ILE A  82;TYR A  84;GLY A  85;SER A  88;ILE A 119;ASP A 120;ASN A 131;GLU A 193;ASP A 218;THR A 221;THR A 222;TYR A 225;ILE A 305","RIT A2001\r"],["4Y4D_A_CFFA411","4y4d","CFF","DB00201(Caffeine)","Cryphonectria parasitica","ENDOTHIAPEPSIN","PF00026(Asp)",6,"LEU A  13;ASP A  15;LEU A 224;PHE A 280;ILE A 283;PHE A 291","CFF A 411\r"],["4Y4J_A_LNRA412","4y4j","LNR","DB00368(Norepinephrine)","Cryphonectria parasitica","ENDOTHIAPEPSIN","PF00026(Asp)",9,"ASP A  33;ASP A  35;TYR A  79;ASP A  81;SER A  83;SER A 115;PHE A 116;ASP A 119;LEU A 125","LNR A 412\r"]]