7WDG

Crystal structure of the P450 BM3 heme domain mutant F87L 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	53394.8	2	UniProt (A0A1Q8UP87) Pfam (PF00067) UniProt (by SIFTS) (P14779)	Priestia megaterium
2	C, J (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, K (A, B)	HYDROXYAMINE	non-polymer		33.0	2	Chemie (HOA)
4	E, H, I, L, O... (A, B)	PHENOL	non-polymer		94.1	6	Chemie (IPH)
5	F, G, M, N (A, B)	(2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid	non-polymer		329.4	4	Chemie (IC6)
6	Q, R (A, B)	water	water		18.0	345	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Gly -1	-	expression tag
Leu 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	106789.7
Non-Polymers*	Number of molecules	14
	Total formula weight	3181.3
All*	Total formula weight	109970.9

*Water molecules are not included.