7WDD

Crystal structure of the P450 BM3 heme domain mutant F87K in complex with N-imidazolyl-hexanoyl-L-phenylalanine, styrene 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	Bifunctional cytochrome P450/NADPH--P450 reductase	polymer	465	53410.9	2	UniProt (A0A1Q8UP87) Pfam (PF00067) UniProt (by SIFTS) (P14779) In PDB	Priestia megaterium
2	A, B	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	A, B	HYDROXYAMINE	non-polymer		33.0	2	Chemie (HOA)
4	A, B	(2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid	non-polymer		329.4	4	Chemie (IC6)
5	B	ethenylbenzene	non-polymer		104.1	3	Chemie (SYN)
6		water	water		18.0	248	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Gly -1	-	expression tag
Lys 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	106821.7
Non-Polymers*	Number of molecules	11
	Total formula weight	2929.1
All*	Total formula weight	109750.8

*Water molecules are not included.