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DrReposER ID	PDB	Ligand	Organism	Macromolecule	Pfam	Res.	Interface	HETATM
1MXF_A_MTXA1278	1mxf	MTX DB00563 (Methotrexate)	Trypanosoma cruzi	PTERIDINE REDUCTASE 2	PF13561 (adh_short_C2)	10	ARG A 22 SER A 103 TYR A 105 ASP A 169 LEU A 176 TYR A 182 LEU A 214 PRO A 218 THR A 225 TYR A 229	MTX A1278
1MXF_B_MTXB2278	1mxf	MTX DB00563 (Methotrexate)	Trypanosoma cruzi	PTERIDINE REDUCTASE 2	no annotation	11	ARG B 22 SER B 103 TYR B 105 ASP B 169 LEU B 176 PHE B 179 TYR B 182 LEU B 214 PRO B 218 THR B 225 TYR B 229	MTX B2278
1MXF_C_MTXC3278	1mxf	MTX DB00563 (Methotrexate)	Trypanosoma cruzi	PTERIDINE REDUCTASE 2	no annotation	11	ARG C 22 SER C 103 TYR C 105 ASP C 169 LEU C 176 PHE C 179 TYR C 182 LEU C 214 PRO C 218 THR C 225 TYR C 229	MTX C3278
1MXF_D_MTXD4278	1mxf	MTX DB00563 (Methotrexate)	Trypanosoma cruzi	PTERIDINE REDUCTASE 2	no annotation	11	ARG D 22 SER D 103 TYR D 105 ASP D 169 LEU D 176 PHE D 179 TYR D 182 LEU D 214 PRO D 218 THR D 225 TYR D 229	MTX D4278
1YHL_A_RISA1400	1yhl	RIS DB00884 (Risedronate)	Trypanosoma cruzi	FARNESYL PYROPHOSPHATE SYNTHASE	PF00348 (polyprenyl_synt)	11	LEU A 95 ASP A 98 ASP A 102 ARG A 107 GLN A 167 LYS A 207 THR A 208 TYR A 211 GLN A 247 ASP A 250 LYS A 264	RIS A1400
2WUZ_A_TPFA1460	2wuz	TPF DB00196 (Fluconazole)	Trypanosoma cruzi	LANOSTEROL 14-ALPHA-DEMETHYLASE , PUTATIVE	PF00067 (p450)	10	TYR A 103 MET A 106 PHE A 110 TYR A 116 ALA A 287 ALA A 291 THR A 295 LEU A 356 MET A 460 VAL A 461	TPF A1460
2WUZ_B_TPFB1460	2wuz	TPF DB00196 (Fluconazole)	Trypanosoma cruzi	LANOSTEROL 14-ALPHA-DEMETHYLASE , PUTATIVE	no annotation	10	TYR B 103 MET B 106 PHE B 110 TYR B 116 ALA B 287 ALA B 291 THR B 295 LEU B 356 MET B 460 VAL B 461	TPF B1460
2WX2_A_TPFA1460	2wx2	TPF DB00196 (Fluconazole)	Trypanosoma cruzi	LANOSTEROL 14-ALPHA-DEMETHYLASE	PF00067 (p450)	7	MET A 106 PHE A 110 TYR A 116 ALA A 287 ALA A 291 THR A 295 LEU A 356	TPF A1460
2WX2_B_TPFB1460	2wx2	TPF DB00196 (Fluconazole)	Trypanosoma cruzi	LANOSTEROL 14-ALPHA-DEMETHYLASE	no annotation	8	TYR B 103 MET B 106 PHE B 110 TYR B 116 ALA B 287 ALA B 291 THR B 295 LEU B 356	TPF B1460
3BWC_A_SAMA501	3bwc	SAM DB00118 (S- Adenosylmethionine)	Trypanosoma cruzi	SPERMIDINE SYNTHASE	PF01564 (Spermine_synt_N) PF17284 (Spermine_synth)	16	GLN A 48 LEU A 67 GLN A 72 TYR A 81 HIS A 82 ILE A 102 GLY A 103 ASP A 126 ILE A 127 ASP A 128 VAL A 131 ASP A 157 GLY A 158 ASP A 176 THR A 177 GLN A 209	SAM A 501
3BWC_B_SAMB501	3bwc	SAM DB00118 (S- Adenosylmethionine)	Trypanosoma cruzi	SPERMIDINE SYNTHASE	None	17	GLN B 48 LEU B 67 GLN B 72 TYR B 81 HIS B 82 ILE B 102 GLY B 103 ASP B 106 ASP B 126 ILE B 127 ASP B 128 VAL B 131 ASP B 157 GLY B 158 ASP B 176 THR B 177 GLN B 209	SAM B 501
3CL9_A_MTXA602	3cl9	MTX DB00563 (Methotrexate)	Trypanosoma cruzi	BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLAT E SYNTHASE (DHFR-TS)	PF00186 (DHFR_1) PF00303 (Thymidylat_synt)	16	VAL A 26 ALA A 28 ILE A 41 ASP A 48 MET A 49 ARG A 53 THR A 80 SER A 83 ILE A 84 PRO A 85 PHE A 88 LEU A 91 PRO A 92 ARG A 94 TYR A 160 THR A 178	MTX A 602
3CLB_A_TMQA611	3clb	TMQ DB01157 (Trimetrexate)	Trypanosoma cruzi	DHFR-TS	PF00186 (DHFR_1) PF00303 (Thymidylat_synt)	11	VAL A 26 ALA A 28 ILE A 41 ASP A 48 MET A 49 ILE A 84 PRO A 85 LEU A 91 ILE A 154 TYR A 160 THR A 178	TMQ A 611
3CLB_B_TMQB612	3clb	TMQ DB01157 (Trimetrexate)	Trypanosoma cruzi	DHFR-TS	no annotation	13	VAL B 26 ALA B 28 ILE B 41 ASP B 48 MET B 49 PHE B 52 THR B 80 SER B 83 ILE B 84 PRO B 85 PHE B 88 ILE B 154 TYR B 160	TMQ B 612
3CLB_C_TMQC613	3clb	TMQ DB01157 (Trimetrexate)	Trypanosoma cruzi	DHFR-TS	no annotation	12	VAL C 26 ALA C 28 ILE C 41 ASP C 48 MET C 49 THR C 80 ILE C 84 PRO C 85 LEU C 91 ILE C 154 TYR C 160 THR C 178	TMQ C 613
3CLB_D_TMQD614	3clb	TMQ DB01157 (Trimetrexate)	Trypanosoma cruzi	DHFR-TS	no annotation	10	VAL D 26 ALA D 28 ILE D 41 ASP D 48 MET D 49 ILE D 84 PRO D 85 ILE D 154 TYR D 160 THR D 178	TMQ D 614
3DMT_C_CCSC166	3dmt	CCS DB04339 (Carbocisteine)	Trypanosoma cruzi	GLYCERALDEHYDE-3-PHO SPHATE DEHYDROGENASE, GLYCOSOMAL	PF00044 (Gp_dh_N) PF02800 (Gp_dh_C)	8	SER C 165 THR C 167 ASN C 169 CYS C 170 HIS C 194 TYR C 333 ASN C 335 TYR C 339	CCS C 166
3HBB_A_TMQA611	3hbb	TMQ DB01157 (Trimetrexate)	Trypanosoma cruzi	DIHYDROFOLATE REDUCTASE-THYMIDYLAT E SYNTHASE	PF00186 (DHFR_1) PF00303 (Thymidylat_synt)	10	VAL A 26 ALA A 28 ILE A 41 ASP A 48 MET A 49 ILE A 84 PRO A 85 LEU A 91 ILE A 154 TYR A 160	TMQ A 611
3HBB_B_TMQB612	3hbb	TMQ DB01157 (Trimetrexate)	Trypanosoma cruzi	DIHYDROFOLATE REDUCTASE-THYMIDYLAT E SYNTHASE	no annotation	9	VAL B 26 ALA B 28 ILE B 41 ASP B 48 THR B 80 SER B 83 PHE B 88 ILE B 154 TYR B 160	TMQ B 612
3HBB_C_TMQC613	3hbb	TMQ DB01157 (Trimetrexate)	Trypanosoma cruzi	DIHYDROFOLATE REDUCTASE-THYMIDYLAT E SYNTHASE	no annotation	11	VAL C 26 ALA C 28 ILE C 41 ASP C 48 MET C 49 ILE C 84 PRO C 85 LEU C 91 ILE C 154 TYR C 160 THR C 178	TMQ C 613
3HBB_D_TMQD614	3hbb	TMQ DB01157 (Trimetrexate)	Trypanosoma cruzi	DIHYDROFOLATE REDUCTASE-THYMIDYLAT E SYNTHASE	no annotation	10	VAL D 26 ALA D 28 ILE D 41 ASP D 48 MET D 49 ILE D 84 PRO D 85 ILE D 154 TYR D 160 THR D 178	TMQ D 614
3IBA_A_ZOLA901	3iba	ZOL DB00399 (Zoledronic acid)	Trypanosoma cruzi	FARNESYL PYROPHOSPHATE SYNTHASE	PF00348 (polyprenyl_synt)	10	ASP A 98 ASP A 102 ARG A 107 GLN A 167 LYS A 207 THR A 208 TYR A 211 GLN A 247 ASP A 250 LYS A 264	ZOL A 901
3KHM_A_TPFA501	3khm	TPF DB00196 (Fluconazole)	Trypanosoma cruzi	STEROL 14 ALPHA-DEMETHYLASE	PF00067 (p450)	8	TYR A 103 MET A 106 PHE A 110 TYR A 116 ALA A 287 ALA A 291 THR A 295 LEU A 356	TPF A 501

[["1MXF_A_MTXA1278","1mxf","MTX","DB00563(Methotrexate)","Trypanosoma cruzi","PTERIDINE REDUCTASE 2","PF13561(adh_short_C2)",10,"ARG A  22;SER A 103;TYR A 105;ASP A 169;LEU A 176;TYR A 182;LEU A 214;PRO A 218;THR A 225;TYR A 229","MTX A1278\r"],["1MXF_B_MTXB2278","1mxf","MTX","DB00563(Methotrexate)","Trypanosoma cruzi","PTERIDINE REDUCTASE 2","no annotation",11,"ARG B  22;SER B 103;TYR B 105;ASP B 169;LEU B 176;PHE B 179;TYR B 182;LEU B 214;PRO B 218;THR B 225;TYR B 229","MTX B2278\r"],["1MXF_C_MTXC3278","1mxf","MTX","DB00563(Methotrexate)","Trypanosoma cruzi","PTERIDINE REDUCTASE 2","no annotation",11,"ARG C  22;SER C 103;TYR C 105;ASP C 169;LEU C 176;PHE C 179;TYR C 182;LEU C 214;PRO C 218;THR C 225;TYR C 229","MTX C3278\r"],["1MXF_D_MTXD4278","1mxf","MTX","DB00563(Methotrexate)","Trypanosoma cruzi","PTERIDINE REDUCTASE 2","no annotation",11,"ARG D  22;SER D 103;TYR D 105;ASP D 169;LEU D 176;PHE D 179;TYR D 182;LEU D 214;PRO D 218;THR D 225;TYR D 229","MTX D4278\r"],["1YHL_A_RISA1400","1yhl","RIS","DB00884(Risedronate)","Trypanosoma cruzi","FARNESYL PYROPHOSPHATE SYNTHASE","PF00348(polyprenyl_synt)",11,"LEU A  95;ASP A  98;ASP A 102;ARG A 107;GLN A 167;LYS A 207;THR A 208;TYR A 211;GLN A 247;ASP A 250;LYS A 264","RIS A1400\r"],["2WUZ_A_TPFA1460","2wuz","TPF","DB00196(Fluconazole)","Trypanosoma cruzi","LANOSTEROL 14-ALPHA-DEMETHYLASE, PUTATIVE","PF00067(p450)",10,"TYR A 103;MET A 106;PHE A 110;TYR A 116;ALA A 287;ALA A 291;THR A 295;LEU A 356;MET A 460;VAL A 461","TPF A1460\r"],["2WUZ_B_TPFB1460","2wuz","TPF","DB00196(Fluconazole)","Trypanosoma cruzi","LANOSTEROL 14-ALPHA-DEMETHYLASE, PUTATIVE","no annotation",10,"TYR B 103;MET B 106;PHE B 110;TYR B 116;ALA B 287;ALA B 291;THR B 295;LEU B 356;MET B 460;VAL B 461","TPF B1460\r"],["2WX2_A_TPFA1460","2wx2","TPF","DB00196(Fluconazole)","Trypanosoma cruzi","LANOSTEROL 14-ALPHA-DEMETHYLASE","PF00067(p450)",7,"MET A 106;PHE A 110;TYR A 116;ALA A 287;ALA A 291;THR A 295;LEU A 356","TPF A1460\r"],["2WX2_B_TPFB1460","2wx2","TPF","DB00196(Fluconazole)","Trypanosoma cruzi","LANOSTEROL 14-ALPHA-DEMETHYLASE","no annotation",8,"TYR B 103;MET B 106;PHE B 110;TYR B 116;ALA B 287;ALA B 291;THR B 295;LEU B 356","TPF B1460\r"],["3BWC_A_SAMA501","3bwc","SAM","DB00118(S-Adenosylmethionine)","Trypanosoma cruzi","SPERMIDINE SYNTHASE","PF01564(Spermine_synt_N);PF17284(Spermine_synth)",16,"GLN A  48;LEU A  67;GLN A  72;TYR A  81;HIS A  82;ILE A 102;GLY A 103;ASP A 126;ILE A 127;ASP A 128;VAL A 131;ASP A 157;GLY A 158;ASP A 176;THR A 177;GLN A 209","SAM A 501\r"],["3BWC_B_SAMB501","3bwc","SAM","DB00118(S-Adenosylmethionine)","Trypanosoma cruzi","SPERMIDINE SYNTHASE","None",17,"GLN B  48;LEU B  67;GLN B  72;TYR B  81;HIS B  82;ILE B 102;GLY B 103;ASP B 106;ASP B 126;ILE B 127;ASP B 128;VAL B 131;ASP B 157;GLY B 158;ASP B 176;THR B 177;GLN B 209","SAM B 501\r"],["3CL9_A_MTXA602","3cl9","MTX","DB00563(Methotrexate)","Trypanosoma cruzi","BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (DHFR-TS)","PF00186(DHFR_1);PF00303(Thymidylat_synt)",16,"VAL A  26;ALA A  28;ILE A  41;ASP A  48;MET A  49;ARG A  53;THR A  80;SER A  83;ILE A  84;PRO A  85;PHE A  88;LEU A  91;PRO A  92;ARG A  94;TYR A 160;THR A 178","MTX A 602\r"],["3CLB_A_TMQA611","3clb","TMQ","DB01157(Trimetrexate)","Trypanosoma cruzi","DHFR-TS","PF00186(DHFR_1);PF00303(Thymidylat_synt)",11,"VAL A  26;ALA A  28;ILE A  41;ASP A  48;MET A  49;ILE A  84;PRO A  85;LEU A  91;ILE A 154;TYR A 160;THR A 178","TMQ A 611\r"],["3CLB_B_TMQB612","3clb","TMQ","DB01157(Trimetrexate)","Trypanosoma cruzi","DHFR-TS","no annotation",13,"VAL B  26;ALA B  28;ILE B  41;ASP B  48;MET B  49;PHE B  52;THR B  80;SER B  83;ILE B  84;PRO B  85;PHE B  88;ILE B 154;TYR B 160","TMQ B 612\r"],["3CLB_C_TMQC613","3clb","TMQ","DB01157(Trimetrexate)","Trypanosoma cruzi","DHFR-TS","no annotation",12,"VAL C  26;ALA C  28;ILE C  41;ASP C  48;MET C  49;THR C  80;ILE C  84;PRO C  85;LEU C  91;ILE C 154;TYR C 160;THR C 178","TMQ C 613\r"],["3CLB_D_TMQD614","3clb","TMQ","DB01157(Trimetrexate)","Trypanosoma cruzi","DHFR-TS","no annotation",10,"VAL D  26;ALA D  28;ILE D  41;ASP D  48;MET D  49;ILE D  84;PRO D  85;ILE D 154;TYR D 160;THR D 178","TMQ D 614\r"],["3DMT_C_CCSC166","3dmt","CCS","DB04339(Carbocisteine)","Trypanosoma cruzi","GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, GLYCOSOMAL","PF00044(Gp_dh_N);PF02800(Gp_dh_C)",8,"SER C 165;THR C 167;ASN C 169;CYS C 170;HIS C 194;TYR C 333;ASN C 335;TYR C 339","CCS C 166\r"],["3HBB_A_TMQA611","3hbb","TMQ","DB01157(Trimetrexate)","Trypanosoma cruzi","DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE","PF00186(DHFR_1);PF00303(Thymidylat_synt)",10,"VAL A  26;ALA A  28;ILE A  41;ASP A  48;MET A  49;ILE A  84;PRO A  85;LEU A  91;ILE A 154;TYR A 160","TMQ A 611\r"],["3HBB_B_TMQB612","3hbb","TMQ","DB01157(Trimetrexate)","Trypanosoma cruzi","DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE","no annotation",9,"VAL B  26;ALA B  28;ILE B  41;ASP B  48;THR B  80;SER B  83;PHE B  88;ILE B 154;TYR B 160","TMQ B 612\r"],["3HBB_C_TMQC613","3hbb","TMQ","DB01157(Trimetrexate)","Trypanosoma cruzi","DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE","no annotation",11,"VAL C  26;ALA C  28;ILE C  41;ASP C  48;MET C  49;ILE C  84;PRO C  85;LEU C  91;ILE C 154;TYR C 160;THR C 178","TMQ C 613\r"],["3HBB_D_TMQD614","3hbb","TMQ","DB01157(Trimetrexate)","Trypanosoma cruzi","DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE","no annotation",10,"VAL D  26;ALA D  28;ILE D  41;ASP D  48;MET D  49;ILE D  84;PRO D  85;ILE D 154;TYR D 160;THR D 178","TMQ D 614\r"],["3IBA_A_ZOLA901","3iba","ZOL","DB00399(Zoledronic acid)","Trypanosoma cruzi","FARNESYL PYROPHOSPHATE SYNTHASE","PF00348(polyprenyl_synt)",10,"ASP A  98;ASP A 102;ARG A 107;GLN A 167;LYS A 207;THR A 208;TYR A 211;GLN A 247;ASP A 250;LYS A 264","ZOL A 901\r"],["3KHM_A_TPFA501","3khm","TPF","DB00196(Fluconazole)","Trypanosoma cruzi","STEROL 14 ALPHA-DEMETHYLASE","PF00067(p450)",8,"TYR A 103;MET A 106;PHE A 110;TYR A 116;ALA A 287;ALA A 291;THR A 295;LEU A 356","TPF A 501\r"]]