6DYF

Cu(II)-bound structure of the engineered cyt cb562 variant, CH3Y

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Soluble cytochrome b562	polymer	106	11922.4	2	UniProt (P0ABE7) Pfam (PF07361) In PDB	Escherichia coli	Cytochrome b-562
2	A, B	HEME C	non-polymer		618.5	2	Chemie (HEC)
3	A	COPPER (II) ION	non-polymer		63.5	1	Chemie (CU)
4	B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
5	B	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6		water	water		18.0	370	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Trp 59	Lys 81	engineered mutation
His 67	Ile 89	engineered mutation
Tyr 70	Gly 92	engineered mutation
His 71	Gln 93	engineered mutation
Cys 96	Thr 118	engineered mutation
His 97	Thr 119	engineered mutation
Cys 98	Arg 120	engineered mutation
Cys 101	Tyr 123	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	23844.8
Non-Polymers*	Number of molecules	5
	Total formula weight	1442.1
All*	Total formula weight	25286.9

*Water molecules are not included.