7YFT

Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82C/L181M in complex with N-imidazolyl-pentanoyl-L-phenylalanine, indane 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	466	53532.1	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, H (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, G (A, B)	HYDROXYAMINE	non-polymer		33.0	2	Chemie (HOA)
4	E, I (A, B)	2,3-dihydro-1H-indene	non-polymer		118.2	2	Chemie (16N)
5	F, J (A, B)	(2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid	non-polymer		315.4	2	Chemie (IRV)
6	K, L (A, B)	water	water		18.0	667	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -2	-	initiating methionine
Gly -1	-	expression tag
Cys 82	Ala 83	engineered mutation
Ala 87	Phe 88	engineered mutation
Met 181	Leu 182	engineered mutation
Val 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	107064.2
Non-Polymers*	Number of molecules	8
	Total formula weight	2166.1
All*	Total formula weight	109230.3

*Water molecules are not included.