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DrReposER ID	PDB	Ligand	Organism	Macromolecule	Pfam	Res.	Interface	HETATM
5TL8_A_X2NA502	5tl8	X2N DB01263 (Posaconazole)	Naegleria fowleri	PROTEIN CYP51	no annotation	18	PHE A 53 ALA A 54 PRO A 57 TYR A 107 PHE A 109 PHE A 114 TYR A 120 PRO A 213 LEU A 214 PHE A 216 ALA A 289 ALA A 293 THR A 297 LEU A 358 MET A 360 MET A 362 THR A 465 LEU A 467	X2N A 502
5V96_A_ADNA502	5v96	ADN DB00640 (Adenosine)	Naegleria fowleri	S-ADENOSYL-L-HOMOCYS TEINE HYDROLASE	PF00670 (AdoHcyase_NAD) PF05221 (AdoHcyase)	16	LEU A 58 HIS A 59 THR A 61 GLU A 63 THR A 64 ASP A 136 GLU A 197 THR A 198 LYS A 227 ASP A 231 LEU A 386 LEU A 389 GLY A 394 HIS A 395 MET A 400 PHE A 404	ADN A 502
5V96_B_ADNB502	5v96	ADN DB00640 (Adenosine)	Naegleria fowleri	S-ADENOSYL-L-HOMOCYS TEINE HYDROLASE	no annotation	16	LEU B 58 HIS B 59 THR B 61 GLU B 63 THR B 64 ASP B 136 GLU B 197 THR B 198 LYS B 227 ASP B 231 LEU B 386 LEU B 389 GLY B 394 HIS B 395 MET B 400 PHE B 404	ADN B 502
5V96_C_ADNC502	5v96	ADN DB00640 (Adenosine)	Naegleria fowleri	S-ADENOSYL-L-HOMOCYS TEINE HYDROLASE	no annotation	16	LEU C 58 HIS C 59 THR C 61 GLU C 63 THR C 64 ASP C 136 GLU C 197 THR C 198 LYS C 227 ASP C 231 LEU C 386 LEU C 389 GLY C 394 HIS C 395 MET C 400 PHE C 404	ADN C 502
5V96_D_ADND502	5v96	ADN DB00640 (Adenosine)	Naegleria fowleri	S-ADENOSYL-L-HOMOCYS TEINE HYDROLASE	no annotation	16	LEU D 58 HIS D 59 THR D 61 GLU D 63 THR D 64 ASP D 136 GLU D 197 THR D 198 LYS D 227 ASP D 231 LEU D 386 LEU D 389 GLY D 394 HIS D 395 MET D 400 PHE D 404	ADN D 502
6AY4_A_TPFA506	6ay4	TPF DB00196 (Fluconazole)	Naegleria fowleri	CYP51, STEROL 14ALPHA-DEMETHYLASE	no annotation	10	TYR A 107 MET A 110 PHE A 114 TYR A 120 ALA A 289 PHE A 292 ALA A 293 THR A 297 LEU A 358 CYS A 430	TPF A 506
6AY6_A_VORA501	6ay6	VOR DB00582 (Voriconazole)	Naegleria fowleri	CYP51, STEROL 14ALPHA-DEMETHYLASE	no annotation	9	TYR A 107 PHE A 114 TYR A 120 ALA A 289 ALA A 293 THR A 297 LEU A 358 CYS A 430 LEU A 467	VOR A 501
6AYB_A_KKKA508	6ayb	KKK DB01026 (Ketoconazole)	Naegleria fowleri	CYP51, STEROL 14ALPHA-DEMETHYLASE	no annotation	14	PRO A 57 TYR A 107 PHE A 109 PHE A 114 TYR A 120 PRO A 213 PHE A 217 ALA A 289 ALA A 293 THR A 297 LEU A 358 ILE A 359 MET A 362 LEU A 467	KKK A 508
6AYC_A_1YNA502	6ayc	1YN DB01167 (Itraconazole)	Naegleria fowleri	PROTEIN CYP51	no annotation	19	PHE A 50 ALA A 54 TYR A 107 PHE A 109 MET A 110 PHE A 114 VAL A 119 TYR A 120 PRO A 213 LEU A 214 PHE A 216 ALA A 289 PHE A 292 ALA A 293 THR A 297 LEU A 358 MET A 360 MET A 362 LEU A 467	1YN A 502
6MKE_A_FK5A201	6mke	FK5 DB00864 (Tacrolimus)	Naegleria fowleri	PEPTIDYLPROLYL ISOMERASE	None PF00254 (FKBP_C)	12	TYR A 38 ASP A 49 ARG A 54 PHE A 58 VAL A 67 ILE A 68 TRP A 71 TYR D 94 TYR A 94 ILE D 99 ILE A 103 PHE A 111	FK5 A 201
6MKE_B_FK5B201	6mke	FK5 DB00864 (Tacrolimus)	Naegleria fowleri	PEPTIDYLPROLYL ISOMERASE	None	12	TYR B 38 ASP B 49 ARG B 54 PHE B 58 VAL B 67 ILE B 68 TRP B 71 TYR B 94 TYR C 94 ILE C 99 ILE B 103 PHE B 111	FK5 B 201
6MKE_C_FK5C201	6mke	FK5 DB00864 (Tacrolimus)	Naegleria fowleri	PEPTIDYLPROLYL ISOMERASE	None	14	TYR C 38 ASP B 49 ASP C 49 ARG C 54 PHE C 58 VAL C 67 ILE C 68 TRP C 71 TYR C 94 ILE B 99 PRO B 100 LEU B 102 ILE C 103 PHE C 111	FK5 C 201
6MKE_D_FK5D201	6mke	FK5 DB00864 (Tacrolimus)	Naegleria fowleri	PEPTIDYLPROLYL ISOMERASE	None PF00254 (FKBP_C)	14	TYR D 38 ASP D 49 ASP A 49 ARG D 54 PHE D 58 VAL D 67 ILE D 68 TRP D 71 TYR D 94 ILE A 99 PRO A 100 LEU A 102 ILE D 103 PHE D 111	FK5 D 201

[["5TL8_A_X2NA502","5tl8","X2N","DB01263(Posaconazole)","Naegleria fowleri","PROTEIN CYP51","no annotation",18,"PHE A  53;ALA A  54;PRO A  57;TYR A 107;PHE A 109;PHE A 114;TYR A 120;PRO A 213;LEU A 214;PHE A 216;ALA A 289;ALA A 293;THR A 297;LEU A 358;MET A 360;MET A 362;THR A 465;LEU A 467","X2N A 502\r"],["5V96_A_ADNA502","5v96","ADN","DB00640(Adenosine)","Naegleria fowleri","S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE","PF00670(AdoHcyase_NAD);PF05221(AdoHcyase)",16,"LEU A  58;HIS A  59;THR A  61;GLU A  63;THR A  64;ASP A 136;GLU A 197;THR A 198;LYS A 227;ASP A 231;LEU A 386;LEU A 389;GLY A 394;HIS A 395;MET A 400;PHE A 404","ADN A 502\r"],["5V96_B_ADNB502","5v96","ADN","DB00640(Adenosine)","Naegleria fowleri","S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE","no annotation",16,"LEU B  58;HIS B  59;THR B  61;GLU B  63;THR B  64;ASP B 136;GLU B 197;THR B 198;LYS B 227;ASP B 231;LEU B 386;LEU B 389;GLY B 394;HIS B 395;MET B 400;PHE B 404","ADN B 502\r"],["5V96_C_ADNC502","5v96","ADN","DB00640(Adenosine)","Naegleria fowleri","S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE","no annotation",16,"LEU C  58;HIS C  59;THR C  61;GLU C  63;THR C  64;ASP C 136;GLU C 197;THR C 198;LYS C 227;ASP C 231;LEU C 386;LEU C 389;GLY C 394;HIS C 395;MET C 400;PHE C 404","ADN C 502\r"],["5V96_D_ADND502","5v96","ADN","DB00640(Adenosine)","Naegleria fowleri","S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE","no annotation",16,"LEU D  58;HIS D  59;THR D  61;GLU D  63;THR D  64;ASP D 136;GLU D 197;THR D 198;LYS D 227;ASP D 231;LEU D 386;LEU D 389;GLY D 394;HIS D 395;MET D 400;PHE D 404","ADN D 502\r"],["6AY4_A_TPFA506","6ay4","TPF","DB00196(Fluconazole)","Naegleria fowleri","CYP51, STEROL 14ALPHA-DEMETHYLASE","no annotation",10,"TYR A 107;MET A 110;PHE A 114;TYR A 120;ALA A 289;PHE A 292;ALA A 293;THR A 297;LEU A 358;CYS A 430","TPF A 506\r"],["6AY6_A_VORA501","6ay6","VOR","DB00582(Voriconazole)","Naegleria fowleri","CYP51, STEROL 14ALPHA-DEMETHYLASE","no annotation",9,"TYR A 107;PHE A 114;TYR A 120;ALA A 289;ALA A 293;THR A 297;LEU A 358;CYS A 430;LEU A 467","VOR A 501\r"],["6AYB_A_KKKA508","6ayb","KKK","DB01026(Ketoconazole)","Naegleria fowleri","CYP51, STEROL 14ALPHA-DEMETHYLASE","no annotation",14,"PRO A  57;TYR A 107;PHE A 109;PHE A 114;TYR A 120;PRO A 213;PHE A 217;ALA A 289;ALA A 293;THR A 297;LEU A 358;ILE A 359;MET A 362;LEU A 467","KKK A 508\r"],["6AYC_A_1YNA502","6ayc","1YN","DB01167(Itraconazole)","Naegleria fowleri","PROTEIN CYP51","no annotation",19,"PHE A  50;ALA A  54;TYR A 107;PHE A 109;MET A 110;PHE A 114;VAL A 119;TYR A 120;PRO A 213;LEU A 214;PHE A 216;ALA A 289;PHE A 292;ALA A 293;THR A 297;LEU A 358;MET A 360;MET A 362;LEU A 467","1YN A 502\r"],["6MKE_A_FK5A201","6mke","FK5","DB00864(Tacrolimus)","Naegleria fowleri","PEPTIDYLPROLYL ISOMERASE","None;PF00254(FKBP_C)",12,"TYR A  38;ASP A  49;ARG A  54;PHE A  58;VAL A  67;ILE A  68;TRP A  71;TYR D  94;TYR A  94;ILE D  99;ILE A 103;PHE A 111","FK5 A 201\r"],["6MKE_B_FK5B201","6mke","FK5","DB00864(Tacrolimus)","Naegleria fowleri","PEPTIDYLPROLYL ISOMERASE","None",12,"TYR B  38;ASP B  49;ARG B  54;PHE B  58;VAL B  67;ILE B  68;TRP B  71;TYR B  94;TYR C  94;ILE C  99;ILE B 103;PHE B 111","FK5 B 201\r"],["6MKE_C_FK5C201","6mke","FK5","DB00864(Tacrolimus)","Naegleria fowleri","PEPTIDYLPROLYL ISOMERASE","None",14,"TYR C  38;ASP B  49;ASP C  49;ARG C  54;PHE C  58;VAL C  67;ILE C  68;TRP C  71;TYR C  94;ILE B  99;PRO B 100;LEU B 102;ILE C 103;PHE C 111","FK5 C 201\r"],["6MKE_D_FK5D201","6mke","FK5","DB00864(Tacrolimus)","Naegleria fowleri","PEPTIDYLPROLYL ISOMERASE","None;PF00254(FKBP_C)",14,"TYR D  38;ASP D  49;ASP A  49;ARG D  54;PHE D  58;VAL D  67;ILE D  68;TRP D  71;TYR D  94;ILE A  99;PRO A 100;LEU A 102;ILE D 103;PHE D 111","FK5 D 201\r"]]