eF-site ID 6iq5-B PDB Code 6iq5 Chain B click to enlarge Title Crystal Structure of CYP1B1 and Inhibitor Having Azide Group Classification OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR Compound Cytochrome P450 1B1 Source (CP1B1_HUMAN) Sequence B:  QAAHLSFARLARRYGDVFQIRLGSCPIVVLNGERAIHQAL VQQGSAFADRPSFASFRVVSGGRSMAFGHYSEHWKVQRRA AHSMMRNFFTRQPRSRQVLEGHVLSEARELVALLVRGSAD GAFLDPRPLTVVAVANVMSAVCFGCRYSHDDPEFRELLVD VMPWPNPVRTVFREFEQLNRNFSNFILDKFLRHCESLRPG AAPRDMMDAFILSAEKKAAARLDLENVPATITDIFGASQD TLSTALQWLLLLFTRYPDVQTRVQAELDQVVGRDRLPCMG DQPNLPYVLAFLYEAMRFSSFVPVTIPHATTANTSVLGYH IPKDTVVFVNQWSVNHDPVKWPNPENFDPARFLDKDGLIN KDLTSRVMIFSVGKRRCIGEELSKMQLFLFISILAHQCDF RANPNEPAKMNFSYGLTIKPKSFKVNVTLRESMELLD Description Functional site 1) chain B residue 117 type sequence R description binding site for residue HEM B 900 source : AC3 2) chain B residue 132 type sequence M description binding site for residue HEM B 900 source : AC3 3) chain B residue 133 type sequence A description binding site for residue HEM B 900 source : AC3 4) chain B residue 145 type sequence R description binding site for residue HEM B 900 source : AC3 5) chain B residue 327 type sequence I description binding site for residue HEM B 900 source : AC3 6) chain B residue 330 type sequence A description binding site for residue HEM B 900 source : AC3 7) chain B residue 331 type sequence S description binding site for residue HEM B 900 source : AC3 8) chain B residue 334 type sequence T description binding site for residue HEM B 900 source : AC3 9) chain B residue 394 type sequence F description binding site for residue HEM B 900 source : AC3 10) chain B residue 395 type sequence V description binding site for residue HEM B 900 source : AC3 11) chain B residue 398 type sequence T description binding site for residue HEM B 900 source : AC3 12) chain B residue 399 type sequence I description binding site for residue HEM B 900 source : AC3 13) chain B residue 401 type sequence H description binding site for residue HEM B 900 source : AC3 14) chain B residue 462 type sequence I description binding site for residue HEM B 900 source : AC3 15) chain B residue 463 type sequence F description binding site for residue HEM B 900 source : AC3 16) chain B residue 464 type sequence S description binding site for residue HEM B 900 source : AC3 17) chain B residue 468 type sequence R description binding site for residue HEM B 900 source : AC3 18) chain B residue 470 type sequence C description binding site for residue HEM B 900 source : AC3 19) chain B residue 471 type sequence I description binding site for residue HEM B 900 source : AC3 20) chain B residue 472 type sequence G description binding site for residue HEM B 900 source : AC3 21) chain B residue 476 type sequence S description binding site for residue HEM B 900 source : AC3 22) chain B residue 395 type SITE sequence V description Major determinant of CYP1B1 17beta-estradiol hydroxylation regiospecificity source Swiss-Prot : SWS_FT_FI2 23) chain B residue 470 type BINDING sequence C description axial binding residue => ECO:0000269|PubMed:21147782, ECO:0007744|PDB:3PM0 source Swiss-Prot : SWS_FT_FI1

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