7YDD

Crystal structure of the P450 BM3 heme domain mutant F87A/T268P/V78I in complex with N-imidazolyl-pentanoyl-L-phenylalanine,propylbenzene 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	P450 BM3 heme domain mutant F87A/T268P/V78I	polymer	466	53494.0	2	UniProt (P14779) Pfam (PF00067) In PDB	Priestia megaterium NBRC 15308 = ATCC 14581
2	A, B	HYDROXYAMINE	non-polymer		33.0	2	Chemie (HOA)
3	A, B	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
4	A, B	propylbenzene	non-polymer		120.2	2	Chemie (3H0)
5	A, B	(2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid	non-polymer		315.4	2	Chemie (IRV)
6		water	water		18.0	964	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -2	-	initiating methionine
Gly -1	-	expression tag
Ile 78	Val 79	engineered mutation
Ala 87	Phe 88	engineered mutation
Pro 268	Thr 269	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	106988.0
Non-Polymers*	Number of molecules	8
	Total formula weight	2170.2
All*	Total formula weight	109158.1

*Water molecules are not included.