7Y0P

Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82T/I263L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, p-cresol 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	53380.8	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, H (B, A)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, I (B, A)	HYDROXYAMINE	non-polymer		33.0	2	Chemie (HOA)
4	E, F, K, L (B, A)	(2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid	non-polymer		329.4	4	Chemie (IC6)
5	G, J, M (B, A)	P-CRESOL	non-polymer		108.1	3	Chemie (PCR)
6	N, O (B, A)	water	water		18.0	584	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Gly -1	-	expression tag
Thr 82	Ala 83	engineered mutation
Ala 87	Phe 88	engineered mutation
Leu 263	Ile 264	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	106761.6
Non-Polymers*	Number of molecules	11
	Total formula weight	2941.0
All*	Total formula weight	109702.6

*Water molecules are not included.