Brand  (β version)

PDB ID: 6H1T

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Ligands
Code Name Style Show Link
HEM Protoporphyrin ix containing Fe PoSSuM
CL6 1-[(2-chlorophenyl)(diphenyl)methyl]-1h-imidazole PoSSuM
MPD (4s)-2-methyl-2,4-pentanediol PoSSuM
EDO 1,2-ethanediol PoSSuM
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Structure summary

Code : 6H1T   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Structure of the BM3 heme domain in complex with clotrimazole
Release Data : 2019-02-20
Compound :
mol_id molecule chains
1 Bifunctional cytochrome P450/NADPH--P450 reductase A,B,C,D
ec: 1.14.14.1,1.6.2.4
mutation: A82F F87V
Source :
mol_id organism_scientific expression_system
1 Bacillus megaterium  (taxid:1404) Escherichia coli  (taxid:562)
gene: BTA37_15100
Authors : Jeffreys, L.N., Munro, A.W.M., Leys, D.
Keywords : P450, azole inhibitor, heme ligation, P450 BM3, OXIDOREDUCTASE
Exp. method : X-RAY DIFFRACTION ( 2.08 Å )
Citation :

Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs.

Jeffreys, L.N.,Poddar, H.,Golovanova, M.  et al.
(2019)  Sci Rep  9 : 1577 - 1577

PubMed: 30733479
DOI: 10.1038/s41598-018-37330-y

Reaction

Chain : A, B, C, D
UniProt : A0A1Q8UP87 (A0A1Q8UP87_PRIMG)
Reaction: EC: Evidence:
Physiological Direction:
NADPH + 2 oxidized [cytochrome P450] = H(+) + NADP(+) + 2 reduced [cytochrome P450] 1.6.2.4 ARBA:ARBA00036596, PIRNR:PIRNR000209
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an organic molecule + O2 + reduced [NADPH--hemoprotein reductase] = an alcohol + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] 1.14.14.1 PIRNR:PIRNR000209
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