3NMJ

Crystal structure of a nickel mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Soluble cytochrome b562	polymer	106	11461.9	4	UniProt (P0ABE7) Pfam (PF07361) In PDB	Escherichia coli	Cytochrome b-562
2	A, B, C, D	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	A, B, C, D	N-1,10-phenanthrolin-5-ylacetamide	non-polymer		237.3	4	Chemie (PXX)
4	B, C	NICKEL (II) ION	non-polymer		58.7	2	Chemie (NI)
5		water	water		18.0	4	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 106 (UniProt: P0ABE7)

PDB	External Database	Details
Cys 59	Lys 81	engineered mutation
Ala 62	Arg 84	engineered mutation
Ala 63	His 85	engineered mutation
Ala 66	Asp 88	engineered mutation
Cys 98	Arg 120	engineered mutation
Cys 101	Tyr 123	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	45847.7
Non-Polymers*	Number of molecules	10
	Total formula weight	3532.4
All*	Total formula weight	49380.1

*Water molecules are not included.