5JQ2

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

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	P450 BM3 L407C heme domain mutant	polymer	469	53685.1	2	UniProt (P14779) Pfam (PF00067) In PDB	Bacillus megaterium	Cytochrome P450(BM-3),Cytochrome P450BM-3,Fatty acid monooxygenase,Flavocytochrome P450 BM3
2	A, B	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	A, B	N-PALMITOYLGLYCINE	non-polymer		313.5	2	Chemie (140)
4	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		water	water		18.0	491	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	6
	Total formula weight	3413.1
All*	Total formula weight	110783.2

*Water molecules are not included.