7LV4

Cu-bound crystal structure of the engineered cyt cb562 variant, DiCyt2 - H97A, crystallized in the presence of Cu(II)

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, A)	Soluble cytochrome b562	polymer	106	11915.4	2	UniProt (P0ABE7) Pfam (PF07361)	Escherichia coli	Cytochrome b-562
2	C, E (C, A)	HEME C	non-polymer		618.5	2	Chemie (HEC)
3	D, G, H (C, A)	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
4	F (A)	COPPER (II) ION	non-polymer		63.5	1	Chemie (CU)
5	I, J (C, A)	water	water		18.0	30	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Trp 59	Lys 81	conflict
His 60	Asp 82	engineered mutation
His 67	Ile 89	engineered mutation
His 71	Gln 93	engineered mutation
Cys 96	Thr 118	engineered mutation
His 97	Thr 119	engineered mutation
Cys 98	Arg 120	conflict
His 100	Ala 122	engineered mutation
Cys 101	Tyr 123	engineered mutation
His 104	Lys 126	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	23830.8
Non-Polymers*	Number of molecules	6
	Total formula weight	1420.8
All*	Total formula weight	25251.5

*Water molecules are not included.