3NPL

Structure of Ru(bpy)2(A-Phen)(K97C) P450 BM3 heme domain, a ruthenium modified P450 BM3 mutant

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 P-450/NADPH-P450 reductase	polymer	470	53752.1	2	UniProt (P14779) Pfam (PF00067)	Bacillus megaterium	Cytochrome P450(BM-3), Cytochrome P450BM-3, Cytochrome P450 102, NADPH--cytochrome P450 reductase
2	C, E (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
4	F (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	1	Chemie (RU8)
5	G, H (A, B)	water	water		18.0	436	Chemie (HOH)

Sequence modifications

A, B: 0 - 463 (UniProt: P14779)

PDB	External Database	Details
Ala 62	Cys 63	engineered mutation
Cys 97	Lys 98	engineered mutation
Ser 156	Cys 157	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	107504.2
Non-Polymers*	Number of molecules	4
	Total formula weight	2105.6
All*	Total formula weight	109609.8

*Water molecules are not included.