7Y0R

Crystal structure of the P450 BM3 heme domain mutant F87L/V78S/A184V in complex with N-imidazolyl-hexanoyl-L-phenylalanine, p-toluidine and hydroxylamine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Bifunctional cytochrome P450/NADPH--P450 reductase	polymer	465	53410.8	2	UniProt (P14779) Pfam (PF00067)	Priestia megaterium NBRC 15308 = ATCC 14581	Cytochrome P450(BM-3),Cytochrome P450BM-3,Fatty acid monooxygenase,Flavocytochrome P450 BM3
2	C, H (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, I (A, B)	HYDROXYAMINE	non-polymer		33.0	2	Chemie (HOA)
4	E, G, J, L (A, B)	(2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid	non-polymer		329.4	4	Chemie (IC6)
5	F, K (A, B)	4-METHYLANILINE	non-polymer		107.2	2	Chemie (4MN)
6	M, N (A, B)	water	water		18.0	597	Chemie (HOH)

Sequence modifications

A, B: 0 - 455 (UniProt: P14779)

PDB	External Database	Details
Gly -1	-	expression tag
Ser 78	Val 79	engineered mutation
Leu 87	Phe 88	engineered mutation
Val 184	Ala 185	engineered mutation
Leu 456	-	expression tag
Glu 457	-	expression tag
His 458	-	expression tag
His 459	-	expression tag
His 460	-	expression tag
His 461	-	expression tag
His 462	-	expression tag
His 463	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	106821.7
Non-Polymers*	Number of molecules	10
	Total formula weight	2830.9
All*	Total formula weight	109652.6

*Water molecules are not included.