Brand  (β version)

PDB ID: 3IBD

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Ligands
Code Name Style Show Link
CM5 5-cyclohexyl-1-pentyl-beta-D-maltoside PoSSuM
CPZ 4-(4-chlorophenyl)imidazole PoSSuM
HEM Protoporphyrin ix containing Fe PoSSuM
SCN Thiocyanate ion PoSSuM
Non-standard Residues
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Structure summary

Code : 3IBD   PDBj   RCSB PDB   PDBe
Header : Oxidoreductase/Oxidoreductase Inhibitor
Title : Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole
Release Data : 2010-01-19
Compound :
mol_id molecule chains synonym
1 Cytochrome P450 2B6 A CYPIIB6, P450 IIB1
ec: 1.14.14.1
mutation: Y226H, K262R
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: CYP2B6
expression_system_strain: JM109
expression_system_vector_type: plasmid
expression_system_plasmid: pKK
Authors : Gay, S.C., Sun, L., Talakad, J.C., Shah, M.B., Stout, D.C., Halpert, J.R.
Keywords : P450, cytochrome P450 2B6, monooxygenase, oxidoreductase, membrane protein, CYP 2B6, Endoplasmic reticulum, Heme, Iron, Membrane, Metal-binding, Microsome, Phosphoprotein, Oxidoreductase-Oxidoreductase Inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.00 Å )
Citation :

Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole at 2.0-A resolution.

Gay, S.C.,Shah, M.B.,Talakad, J.C.  et al.
(2010)  Mol.Pharmacol.  77 : 529 - 538

PubMed: 20061448
DOI: 10.1124/mol.109.062570

Reaction

Chain : A
UniProt : P20813 (CP2B6_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine + reduced [NADPH--hemoprotein reductase] + O2 = N-(14,15-epoxy-5Z,8Z,11Z- eicosatrienoyl)-ethanolamine + oxidized [NADPH--hemoprotein reductase] + H2O + H(+) - PubMed:21289075
left-to-right
N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine + reduced [NADPH--hemoprotein reductase] + O2 = N-(11,12-epoxy-5Z,8Z,14Z- eicosatrienoyl)-ethanolamine + oxidized [NADPH--hemoprotein reductase] + H2O + H(+) - PubMed:21289075
left-to-right
N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine + reduced [NADPH--hemoprotein reductase] + O2 = N-(8,9-epoxy-5Z,11Z,14Z- eicosatrienoyl)-ethanolamine + oxidized [NADPH--hemoprotein reductase] + H2O + H(+) - PubMed:21289075
left-to-right
testosterone + reduced [NADPH--hemoprotein reductase] + O2 = 16alpha,17beta-dihydroxyandrost-4-en-3-one + oxidized [NADPH-- hemoprotein reductase] + H2O + H(+) - PubMed:21289075
left-to-right
testosterone + reduced [NADPH--hemoprotein reductase] + O2 = 16beta,17beta-dihydroxyandrost-4-en-3-one + oxidized [NADPH-- hemoprotein reductase] + H2O + H(+) - PubMed:21289075
left-to-right
17beta-estradiol + reduced [NADPH--hemoprotein reductase] + O2 = 2-hydroxy-17beta-estradiol + oxidized [NADPH--hemoprotein reductase] + H2O + H(+) - PubMed:12865317
left-to-right PubMed:21289075
estrone + reduced [NADPH--hemoprotein reductase] + O2 = 2- hydroxyestrone + oxidized [NADPH--hemoprotein reductase] + H2O + H(+) - PubMed:12865317
left-to-right PubMed:21289075
1,4-cineole + reduced [NADPH--hemoprotein reductase] + O2 = 2- exo-hydroxy-1,4-cineole + oxidized [NADPH--hemoprotein reductase] + H2O + H(+) - PubMed:11695850
left-to-right
Cofactor: Evidence: Note:
heme ECO:0000269 | PubMed:20061448
ECO:0000269 | PubMed:21875942
ECO:0000269 | PubMed:22909231
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