8JC4

Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-Pid-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	Bifunctional cytochrome P450/NADPH--P450 reductase	polymer	465	53350.8	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	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	1-pyridin-4-ylpiperidine-4-carboxylic acid	non-polymer		206.2	4	Chemie (UCH)
5	A, B	PHENYLALANINE	non-polymer		165.2	4	Chemie (PHE)
6		water	water		18.0	253	Chemie (HOH)

Sequence modifications

A, B: 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	2784.8
All*	Total formula weight	109486.3

*Water molecules are not included.