5JTD

Crystal structure of the Ru(bpy)2PhenA functionalized P450 BM3 L407C heme domain mutant in complex with DMSO.

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	469	53685.1	2	UniProt (P14779) Pfam (PF00067)	Bacillus megaterium	Cytochrome P450(BM-3),Cytochrome P450BM-3,Fatty acid monooxygenase,Flavocytochrome P450 BM3
2	C, G (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, F, H, J (A, B)	DIMETHYL SULFOXIDE	non-polymer		78.1	4	Chemie (DMS)
4	E, I (A, B)	bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[2-iodo-N-(1,10-phenanthrolin-5-yl-kappa~2~N~1~,N~10~)acetamide]ruthenium(2+)	non-polymer		776.6	2	Chemie (RU8)
5	K, L (A, B)	water	water		18.0	698	Chemie (HOH)

Sequence modifications

A, B: 1 - 463 (UniProt: P14779)

PDB	External Database	Details
Cys 407	Leu 408	engineered mutation
His 464	-	expression tag
His 465	-	expression tag
His 466	-	expression tag
His 467	-	expression tag
His 468	-	expression tag
His 469	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	107370.1
Non-Polymers*	Number of molecules	8
	Total formula weight	3098.7
All*	Total formula weight	110468.8

*Water molecules are not included.