7Y0S

Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-tyrosyl-L-tyrosine 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 (B, A)	Bifunctional cytochrome P450/NADPH--P450 reductase	polymer	465	53352.8	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, D (C, D)	I7X-TYR-TYR	polymer	3	508.6	2		synthetic construct
3	E, G (B, A)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
4	F, H (B, A)	HYDROXYAMINE	non-polymer		33.0	2	Chemie (HOA)
5	I, J, K, L (B, A, C, D)	water	water		18.0	440	Chemie (HOH)

Sequence modifications

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

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	4
	Total formula weight	107722.7
Non-Polymers*	Number of molecules	4
	Total formula weight	1299.0
All*	Total formula weight	109021.7

*Water molecules are not included.