8AJK

Crystal structure of a C43S variant from the disulfide reductase MerA from Staphylococcus aureus

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	FAD-containing oxidoreductase	polymer	448	49528.4	2	UniProt (A0A6B5CJS8) Pfam (PF07992) Pfam (PF02852) UniProt (by SIFTS) (Q2G0I4) In PDB	Staphylococcus aureus
2	A, B	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
3	A, B	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
4	A, B	NICKEL (II) ION	non-polymer		58.7	2	Chemie (NI)
5		water	water		18.0	840	Chemie (HOH)

Sequence modifications

A, B: 1 - 440 (UniProt: A0A6B5CJS8)

PDB	External Database	Details
Met -1	-	initiating methionine
Gly 0	-	expression tag
Ser 43	Cys 43	engineered mutation
Val 222	Ile 222	engineered mutation
His 441	-	expression tag
His 442	-	expression tag
His 443	-	expression tag
His 444	-	expression tag
His 445	-	expression tag
His 446	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	99056.8
Non-Polymers*	Number of molecules	8
	Total formula weight	2056.9
All*	Total formula weight	101113.7

*Water molecules are not included.