Het-PDB Navi2 (PDB: 5JQU)

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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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Download interaction data: 5JQU

Code :

5JQU PDBj RCSB PDB PDBe

Header :

OXIDOREDUCTASE

Title :

Crystal structure of Cytochrome P450 BM3 heme domain G265F/T269V/L272W/L322I/F405M/A406S (WIVS-FM) 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: G265F,T269V,L272W,L322I,F405M,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:562)
	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 ( 2.1620 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

Chain :

A, B, C, D, E, F, G, H

UniProt :

P14779 (CPXB_PRIM2)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
2 oxidized [cytochrome P450] + NADPH = 2 reduced [cytochrome P450] + NADP(+) + H(+)	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
	-
an organic molecule + reduced [NADPH--hemoprotein reductase] + O2 = an alcohol + oxidized [NADPH--hemoprotein reductase] + H2O + H(+)	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
	-
Cofactor:	Evidence:	Note:
FAD	ECO:0000269 \| PubMed:7578081	-
FMN	ECO:0000269 \| PubMed:10051560	-
heme	ECO:0000269 \| PubMed:16403573 ECO:0000269 \| PubMed:18721129 ECO:0000269 \| PubMed:19492389 ECO:0000269 \| PubMed:20180779 ECO:0000269 \| PubMed:21110374	-

PDB ID: 5JQU