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Ligands
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85D (1s,5r)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CM5 5-cyclohexyl-1-pentyl-beta-D-maltoside
HEM Protoporphyrin ix containing Fe
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Code : 5UEC   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Crystal Structure of CYP2B6 (Y226H/K262R) in complex with myrtenyl bromide.
Release Data : 2017-04-12
Compound :
mol_id molecule chains synonym
1 Cytochrome P450 2B6 A 1,4-cineole 2-exo-monooxygenase,CYPIIB6,Cytochrome P450 IIB1
ec: 1.14.13.-
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
Authors : Shah, M.B., Halpert, J.R.
Keywords : Oxidoreductase, cytochrome P450 2B6
Exp. method : X-RAY DIFFRACTION ( 2.27 Å )
Citation :

Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.

Shah, M.B.,Liu, J.,Zhang, Q.  et al.
(2017)  ACS Chem. Biol.  12 : 1204 - 1210

PubMed: 28368100
DOI: 10.1021/acschembio.7b00056

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