Brand  (β version)

PDB ID: 5WBG

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Ligands
Code Name Style Show Link
HEM Protoporphyrin ix containing Fe PoSSuM
9ZJ (2r,4s)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2h-3,1-benzoxazine PoSSuM
ZAZ 5-cyclohexylpentan-1-ol PoSSuM
Non-standard Residues
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Structure summary

Code : 5WBG   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Crystal Structure of human Cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug Efavirenz
Release Data : 2018-05-02
Compound :
mol_id molecule chains synonym
1 Cytochrome P450 2B6 A,B,C,D,E,F 1,4-cineole 2-exo-monooxygenase,CYPIIB6,Cytochrome P450 IIB1
ec: 1.14.13.-
fragment: residues 30-491
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: pKKdH
Authors : Shah, M.B., Halpert, J.R.
Keywords : Oxidoreductase
Exp. method : X-RAY DIFFRACTION ( 2.99 Å )
Citation :

Crystal Structure of CYP2B6 in Complex with an Efavirenz Analog.

Shah, M.B.,Zhang, Q.,Halpert, J.R.
(2018)  Int J Mol Sci  19

PubMed: 29596329
DOI: 10.3390/ijms19041025

Reaction

Chain : A, B, C, D, E, F
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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