7WDH

Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine, phenol 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	53352.8	2	UniProt (A0A1Q8UP87) Pfam (PF00067) UniProt (by SIFTS) (P14779)	Priestia megaterium
2	C, K (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, L (A, B)	HYDROXYAMINE	non-polymer		33.0	2	Chemie (HOA)
4	E, F, M, N (A, B)	(2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid	non-polymer		329.4	4	Chemie (IC6)
5	G, H, I, J, O... (A, B)	PHENOL	non-polymer		94.1	7	Chemie (IPH)
6	R, S (A, B)	water	water		18.0	751	Chemie (HOH)

Sequence modifications

A, B: 0 - 455 (UniProt: A0A1Q8UP87)

PDB	External Database	Details
Gly -1	-	expression tag
Ala 87	Phe 88	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	106705.5
Non-Polymers*	Number of molecules	15
	Total formula weight	3275.4
All*	Total formula weight	109980.9

*Water molecules are not included.