8HOS

Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Phe(4NO2)-Tyr

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	465	53352.8	2	UniProt (A0A1Q8UP87) Pfam (PF00067) UniProt (by SIFTS) (P14779)	Priestia megaterium
2	C, D (C, D)	Im-C6-Phe(4NO2)-Tyr	polymer	3	537.6	2		synthetic construct
3	E, F (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
4	G, H, I, J (A, B, C, D)	water	water		18.0	778	Chemie (HOH)

Sequence modifications

A, B: 0 - 455 (UniProt: A0A1Q8UP87)

PDB	External Database	Details
Gly -1	-	expression tag
Ala 87	Phe 88	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	4
	Total formula weight	107780.6
Non-Polymers*	Number of molecules	2
	Total formula weight	1233.0
All*	Total formula weight	109013.6

*Water molecules are not included.