Brand  (β version)

PDB ID: 5JQV

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Ligands
Code Name Style Show Link
FDE Fe(III) deuteroporphyrin ix PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 5JQV   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Crystal structure of Cytochrome P450 BM3 heme domain T269V/L272W/L322I/A406S (WIVS) variant with iron(III) deuteroporphyrin IX bound
Release Data : 2016-09-28
Compound :
mol_id molecule chains synonym
1 Bifunctional cytochrome P450/NADPH--P450 reductase A,B,C,D,E,F,G,H Cytochrome P450(BM-3),Cytochrome P450BM-3,Fatty acid monooxygenase,Flavocytochrome P450 BM3
ec: 1.14.14.1,1.6.2.4
fragment: heme domain, residues 2-456
mutation: T269V,L272W,L322I,A406S
Source :
mol_id organism_scientific expression_system
1 Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / VKM B-512)  (taxid:1348623) Escherichia coli  (taxid:511693)
strain: ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / VKM B-512
gene: cyp102A1, cyp102, BG04_163
expression_system_strain: BL21 AI
expression_system_vector_type: plasmid
expression_system_plasmid: pCWori
Authors : Reynolds, E.W., McHenry, M.W., Cannac, F., Gober, J.G., Snow, C.D., Brustad, E.M.
Keywords : P450 BM3, iron(III) deuteroporphyrin IX, OXIDOREDUCTASE
Exp. method : X-RAY DIFFRACTION ( 2.34 Å )
Citation :

An Evolved Orthogonal Enzyme/Cofactor Pair.

Reynolds, E.W.,McHenry, M.W.,Cannac, F.  et al.
(2016)  J.Am.Chem.Soc.  138 : 12451 - 12458

PubMed: 27575374
DOI: 10.1021/jacs.6b05847

Reaction

Chain : A, B, C, D, E, F, G, H
UniProt : P14779 (CPXB_PRIM2)
Reaction: EC: Evidence:
Physiological Direction:
NADPH + 2 oxidized [cytochrome P450] = H(+) + NADP(+) + 2 reduced [cytochrome P450] 1.6.2.4 PubMed:11695889, PubMed:11695892, PubMed:14653735, PubMed:16403573, PubMed:16566047, PubMed:17077084, PubMed:1727637, PubMed:17868686, PubMed:18004886, PubMed:18020460, PubMed:18298086, PubMed:18619466, PubMed:18721129, PubMed:19492389, PubMed:20180779, PubMed:21110374, PubMed:21875028, PubMed:3106359, PubMed:7578081
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an organic molecule + O2 + reduced [NADPH--hemoprotein reductase] = an alcohol + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] 1.14.14.1 PubMed:11695889, PubMed:11695892, PubMed:14653735, PubMed:16403573, PubMed:16566047, PubMed:17077084, PubMed:1727637, PubMed:17868686, PubMed:18004886, PubMed:18020460, PubMed:18298086, PubMed:18619466, PubMed:18721129, PubMed:19492389, PubMed:20180779, PubMed:21110374, PubMed:21875028, PubMed:3106359, PubMed:7578081
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