eF-site ID 2w09-A PDB Code 2w09 Chain A click to enlarge Title CYP51 OF M. TUBERCULOSIS BOUND TO AN INHIBITOR CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE Classification OXIDOREDUCTASE Compound CYTOCHROME P450 51 Source (2W09) Sequence A:  VALPRVSGGHDEHGHLEEFRTDPIGLMQRVRDELGDVGTF QLAGKQVVLLSGSHANEFFFRAGDDDLDQAKAYPFMTPIF GHNAALRGEQMKGHAATIEDQVRRMIADWGEAGEIDLLDF FAELTIYTSSACLIGKKFRDQLDGRFAKLYHELERGTDPL AYVDPYLPIESFRRRDEARNGLVALVADIMNGRIANPRDM LDVLIAVKATPRFSADEITGMFISMMFAGHHTSSGTASWT LIELMRHRDAYAAVIDELDELYGDGRSVSFHALRQIPQLE NVLKETLRLHPPLIILMRVAKGEFEVQGHRIHEGDLVAAS PAISNRIPEDFPDPHDFVPARYEQPRQEDLLNRWTWIPFG AGRHRCVGAAFAIMQIKAIFSVLLREYEFEMAQPPESYRN DHSKMVVQLAQPAAVRYRRRT Description Functional site 1) chain A residue 72 type sequence Q description BINDING SITE FOR RESIDUE HEM A 470 source : AC1 2) chain A residue 257 type sequence G description BINDING SITE FOR RESIDUE HEM A 470 source : AC1 3) chain A residue 260 type sequence T description BINDING SITE FOR RESIDUE HEM A 470 source : AC1 4) chain A residue 264 type sequence T description BINDING SITE FOR RESIDUE HEM A 470 source : AC1 5) chain A residue 320 type sequence P description BINDING SITE FOR RESIDUE HEM A 470 source : AC1 6) chain A residue 321 type sequence L description BINDING SITE FOR RESIDUE HEM A 470 source : AC1 7) chain A residue 326 type sequence R description BINDING SITE FOR RESIDUE HEM A 470 source : AC1 8) chain A residue 386 type sequence P description BINDING SITE FOR RESIDUE HEM A 470 source : AC1 9) chain A residue 387 type sequence F description BINDING SITE FOR RESIDUE HEM A 470 source : AC1 10) chain A residue 388 type sequence G description BINDING SITE FOR RESIDUE HEM A 470 source : AC1 11) chain A residue 391 type sequence R description BINDING SITE FOR RESIDUE HEM A 470 source : AC1 12) chain A residue 392 type sequence H description BINDING SITE FOR RESIDUE HEM A 470 source : AC1 13) chain A residue 393 type sequence R description BINDING SITE FOR RESIDUE HEM A 470 source : AC1 14) chain A residue 394 type sequence C description BINDING SITE FOR RESIDUE HEM A 470 source : AC1 15) chain A residue 395 type sequence V description BINDING SITE FOR RESIDUE HEM A 470 source : AC1 16) chain A residue 396 type sequence G description BINDING SITE FOR RESIDUE HEM A 470 source : AC1 17) chain A residue 72 type sequence Q description BINDING SITE FOR RESIDUE CM9 A1451 source : AC2 18) chain A residue 73 type sequence A description BINDING SITE FOR RESIDUE CM9 A1451 source : AC2 19) chain A residue 76 type sequence Y description BINDING SITE FOR RESIDUE CM9 A1451 source : AC2 20) chain A residue 78 type sequence F description BINDING SITE FOR RESIDUE CM9 A1451 source : AC2 21) chain A residue 79 type sequence M description BINDING SITE FOR RESIDUE CM9 A1451 source : AC2 22) chain A residue 255 type sequence F description BINDING SITE FOR RESIDUE CM9 A1451 source : AC2 23) chain A residue 256 type sequence A description BINDING SITE FOR RESIDUE CM9 A1451 source : AC2 24) chain A residue 259 type sequence H description BINDING SITE FOR RESIDUE CM9 A1451 source : AC2 25) chain A residue 321 type sequence L description BINDING SITE FOR RESIDUE CM9 A1451 source : AC2 26) chain A residue 433 type sequence M description BINDING SITE FOR RESIDUE CM9 A1451 source : AC2 27) chain A residue 387-396 type prosite sequence FGAGRHRCVG description CYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGaGRHRCVG source prosite : PS00086 28) chain A residue 76 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:11248033, ECO:0000269|PubMed:15530358, ECO:0000269|PubMed:17846131, ECO:0000269|PubMed:18367444, ECO:0000269|PubMed:19190730, ECO:0000269|Ref.9, ECO:0007744|PDB:1E9X, ECO:0007744|PDB:1X8V source Swiss-Prot : SWS_FT_FI1 29) chain A residue 326 type BINDING sequence R description BINDING => ECO:0000269|PubMed:11248033, ECO:0000269|PubMed:15530358, ECO:0000269|PubMed:17846131, ECO:0000269|PubMed:18367444, ECO:0000269|PubMed:19190730, ECO:0000269|Ref.9, ECO:0007744|PDB:1E9X, ECO:0007744|PDB:1X8V source Swiss-Prot : SWS_FT_FI1 30) chain A residue 392 type BINDING sequence H description BINDING => ECO:0000269|PubMed:11248033, ECO:0000269|PubMed:15530358, ECO:0000269|PubMed:17846131, ECO:0000269|PubMed:18367444, ECO:0000269|PubMed:19190730, ECO:0000269|Ref.9, ECO:0007744|PDB:1E9X, ECO:0007744|PDB:1X8V source Swiss-Prot : SWS_FT_FI1 31) chain A residue 72 type BINDING sequence Q description BINDING => ECO:0000269|PubMed:11248033, ECO:0000269|PubMed:15530358, ECO:0000269|PubMed:17846131, ECO:0000269|PubMed:18367444, ECO:0000269|PubMed:19190730, ECO:0000269|Ref.9, ECO:0007744|PDB:1E9X, ECO:0007744|PDB:1X8V source Swiss-Prot : SWS_FT_FI1 32) chain A residue 394 type BINDING sequence C description axial binding residue => ECO:0000269|PubMed:11248033, ECO:0000269|PubMed:15530358, ECO:0000269|PubMed:17846131, ECO:0000269|PubMed:18367444, ECO:0000269|PubMed:19190730, ECO:0000269|Ref.9, ECO:0007744|PDB:1E9X, ECO:0007744|PDB:1X8V source Swiss-Prot : SWS_FT_FI2

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