8JC3

Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-N-C4-Phe 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	53350.8	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, I (B, A)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, J (B, A)	HYDROXYAMINE	non-polymer		33.0	2	Chemie (HOA)
4	E, G, K, M (B, A)	4-(pyridin-4-ylamino)butanoic acid	non-polymer		180.2	4	Chemie (LXO)
5	F, H, L, N (B, A)	PHENYLALANINE	non-polymer		165.2	4	Chemie (PHE)
6	O, P (B, A)	water	water		18.0	966	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Gly -1	-	expression tag
Ala 87	Phe 88	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	106701.6
Non-Polymers*	Number of molecules	12
	Total formula weight	2680.6
All*	Total formula weight	109382.2

*Water molecules are not included.