Brand  (β version)

PDB ID: 3UA5

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Ligands
Code Name Style Show Link
HEM Protoporphyrin ix containing Fe PoSSuM
06X Amlodipine PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 3UA5   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Crystal Structure of P450 2B6 (Y226H/K262R) in complex with two molecules of Amlodipine
Release Data : 2012-09-12
Compound :
mol_id molecule chains synonym
1 Cytochrome P450 2B6 A,B CYPIIB6, Cytochrome 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:83333)
gene: CYP2B6
expression_system_strain: JM109
expression_system_vector_type: PLASMID
expression_system_plasmid: pKK
Authors : Shah, M.B., Stout, C.D., Halpert, J.R.
Keywords : P450, human cytochrome P450 2B6, monooxygenase, oxidoreductase, membrane protein, CYP 2B6
Exp. method : X-RAY DIFFRACTION ( 2.80 Å )
Citation :

Conformational Adaptation of Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4 Revealed upon Binding Multiple Amlodipine Molecules.

Shah, M.B.,Wilderman, P.R.,Pascual, J.  et al.
(2012)  Biochemistry  51 : 7225 - 7238

PubMed: 22909231
DOI: 10.1021/bi300894z

Reaction

Chain : A, B
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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