7YD9

Crystal structure of the P450 BM3 heme domain mutant F87G/T268V/A184V/A328V in complex with N-imidazolyl-hexanoyl-L-phenylalanine,methylbenzene 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	466	53524.1	2	UniProt (P14779) Pfam (PF00067) In PDB	Priestia megaterium NBRC 15308 = ATCC 14581	Cytochrome P450(BM-3),Cytochrome P450BM-3,Fatty acid monooxygenase,Flavocytochrome P450 BM3
2	A, B	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	A, B	(2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid	non-polymer		329.4	2	Chemie (IC6)
4	A, B	HYDROXYAMINE	non-polymer		33.0	2	Chemie (HOA)
5	A, B	TOLUENE	non-polymer		92.1	2	Chemie (MBN)
6		water	water		18.0	941	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -2	-	initiating methionine
Gly -1	-	expression tag
Gly 87	Phe 88	engineered mutation
Val 184	Ala 185	engineered mutation
Val 268	Thr 269	engineered mutation
Val 328	Ala 329	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	107048.1
Non-Polymers*	Number of molecules	8
	Total formula weight	2142.1
All*	Total formula weight	109190.2

*Water molecules are not included.