eF-site ID 5ibi-A PDB Code 5ibi Chain A click to enlarge Title Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26a Classification OXIDOREDUCTASE Compound Cytochrome P450 121 CYP121 Source Mycobacterium tuberculosis (A0A0T9WNE5_MYCTX) Sequence A:  TVLLEVPFSARGDRIPDAVAELRTREPIRKVRTITGAEAW LVSSYALCTQVLEDRRFSMKETAAAGAPRLNALTVPPEVV NNMGNIADAGLRKAVMKAITPKAPGLEQFLRDTANSLLDN LITEGAPADLRNDFADPLATALHCKVLGIPQEDGPKLFRS LSIAFMSSADPIPAAKINWDRDIEYMAGILENPNITTGLM GELSRLRKDPAYSHVSDELFATIGVTFFGAGVISTGSFLT TALISLIQRPQLRNLLHEKPELIPAGVEELLRINLSFADG LPRLATADIQVGDVLVRKGELVLVLLEGANFDPEHFPNPG SIELDRPNPTSHLAFGRGQHFCPGSALGRRHAQIGIEALL KKMPGVDLAVPIDQLVWRTRFQRRIPERLPVLW Description (1)  Cytochrome P450 121 CYP121 (E.C.1.14.-.-) Functional site 1) chain A residue 211 type sequence K description binding site for residue SO4 A 401 source : AC1 2) chain A residue 330 type sequence P description binding site for residue SO4 A 401 source : AC1 3) chain A residue 331 type sequence N description binding site for residue SO4 A 401 source : AC1 4) chain A residue 332 type sequence P description binding site for residue SO4 A 401 source : AC1 5) chain A residue 333 type sequence T description binding site for residue SO4 A 401 source : AC1 6) chain A residue 334 type sequence S description binding site for residue SO4 A 401 source : AC1 7) chain A residue 12 type sequence S description binding site for residue SO4 A 402 source : AC2 8) chain A residue 14 type sequence R description binding site for residue SO4 A 402 source : AC2 9) chain A residue 58 type sequence R description binding site for residue SO4 A 403 source : AC3 10) chain A residue 61 type sequence S description binding site for residue SO4 A 403 source : AC3 11) chain A residue 62 type sequence M description binding site for residue SO4 A 403 source : AC3 12) chain A residue 63 type sequence K description binding site for residue SO4 A 403 source : AC3 13) chain A residue 343 type sequence H description binding site for residue SO4 A 403 source : AC3 14) chain A residue 65 type sequence T description binding site for residue 69U A 404 source : AC4 15) chain A residue 72 type sequence R description binding site for residue 69U A 404 source : AC4 16) chain A residue 76 type sequence L description binding site for residue 69U A 404 source : AC4 17) chain A residue 77 type sequence T description binding site for residue 69U A 404 source : AC4 18) chain A residue 78 type sequence V description binding site for residue 69U A 404 source : AC4 19) chain A residue 85 type sequence N description binding site for residue 69U A 404 source : AC4 20) chain A residue 167 type sequence A description binding site for residue 69U A 404 source : AC4 21) chain A residue 168 type sequence F description binding site for residue 69U A 404 source : AC4 22) chain A residue 182 type sequence W description binding site for residue 69U A 404 source : AC4 23) chain A residue 228 type sequence V description binding site for residue 69U A 404 source : AC4 24) chain A residue 385 type sequence Q description binding site for residue 69U A 404 source : AC4 25) chain A residue 62 type sequence M description binding site for residue HEM A 405 source : AC5 26) chain A residue 86 type sequence M description binding site for residue HEM A 405 source : AC5 27) chain A residue 146 type sequence H description binding site for residue HEM A 405 source : AC5 28) chain A residue 234 type sequence G description binding site for residue HEM A 405 source : AC5 29) chain A residue 237 type sequence S description binding site for residue HEM A 405 source : AC5 30) chain A residue 241 type sequence F description binding site for residue HEM A 405 source : AC5 31) chain A residue 280 type sequence F description binding site for residue HEM A 405 source : AC5 32) chain A residue 284 type sequence L description binding site for residue HEM A 405 source : AC5 33) chain A residue 286 type sequence R description binding site for residue HEM A 405 source : AC5 34) chain A residue 337 type sequence A description binding site for residue HEM A 405 source : AC5 35) chain A residue 338 type sequence F description binding site for residue HEM A 405 source : AC5 36) chain A residue 339 type sequence G description binding site for residue HEM A 405 source : AC5 37) chain A residue 343 type sequence H description binding site for residue HEM A 405 source : AC5 38) chain A residue 345 type sequence C description binding site for residue HEM A 405 source : AC5 39) chain A residue 77 type BINDING sequence T description BINDING => ECO:0000269|PubMed:17028183, ECO:0000269|PubMed:19416919 source Swiss-Prot : SWS_FT_FI1 40) chain A residue 237 type BINDING sequence S description BINDING => ECO:0000269|PubMed:17028183, ECO:0000269|PubMed:19416919 source Swiss-Prot : SWS_FT_FI1 41) chain A residue 301 type BINDING sequence K description BINDING => ECO:0000269|PubMed:17028183, ECO:0000269|PubMed:19416919 source Swiss-Prot : SWS_FT_FI1 42) chain A residue 385 type BINDING sequence Q description BINDING => ECO:0000269|PubMed:17028183, ECO:0000269|PubMed:19416919 source Swiss-Prot : SWS_FT_FI1 43) chain A residue 85 type BINDING sequence N description source Swiss-Prot : SWS_FT_FI2 44) chain A residue 286 type BINDING sequence R description BINDING => ECO:0000269|PubMed:12435731, ECO:0000269|PubMed:17028183, ECO:0000269|PubMed:18818197, ECO:0000269|PubMed:19416919, ECO:0000269|PubMed:22890978, ECO:0000269|PubMed:23620594 source Swiss-Prot : SWS_FT_FI3 45) chain A residue 343 type BINDING sequence H description BINDING => ECO:0000269|PubMed:12435731, ECO:0000269|PubMed:17028183, ECO:0000269|PubMed:18818197, ECO:0000269|PubMed:19416919, ECO:0000269|PubMed:22890978, ECO:0000269|PubMed:23620594 source Swiss-Prot : SWS_FT_FI3 46) chain A residue 345 type BINDING sequence C description axial binding residue source Swiss-Prot : SWS_FT_FI4 47) chain A residue 346 type SITE sequence P description Important for the position of heme source Swiss-Prot : SWS_FT_FI6 48) chain A residue 168 type SITE sequence F description Participates in a stacking interactions with the tyrosyl of cYY source Swiss-Prot : SWS_FT_FI5 49) chain A residue 182 type SITE sequence W description Participates in a stacking interactions with the tyrosyl of cYY source Swiss-Prot : SWS_FT_FI5 50) chain A residue 338-347 type prosite sequence FGRGQHFCPG description CYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGrGQHFCPG source prosite : PS00086

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