28MY

Crystal structure of wild-type persulfide dioxygenase-rhodanese fusion CstB from Staphylococcus aureus: full-length structure - Cys201Ser/Cys408Ser double mutant

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	CsoR-like sulfur transferase-regulated gene B	polymer	466	51992.9	2	UniProt (G5ELA4)	Staphylococcus aureus	MBL fold metallo-hydrolase,Metal-dependent hydrolase with rhodanese-homology domain (RHOD),Metallo-beta-lactamase family protein,Persulfide dioxygenase-sulfurtransferase CstB,Zn-dependent hydrolase
2	C, E (A, B)	FE (III) ION	non-polymer		55.8	2	Chemie (FE) PubChem (29936)
3	D, F (A, B)	SULFITE ION	non-polymer		80.1	2	Chemie (SO3) PubChem (1099)
4	G (B)	MALONATE ION	non-polymer		102.0	1	Chemie (MLI) PubChem (9084)
5	H, I (A, B)	water	water		18.0	30	Chemie (HOH)

Sequence modifications

A, B: 2 - 444 (UniProt: G5ELA4)

PDB	External Database	Details
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
Asp -15	-	expression tag
Tyr -14	-	expression tag
Asp -13	-	expression tag
Ile -12	-	expression tag
Pro -11	-	expression tag
Thr -10	-	expression tag
Thr -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Gly -2	-	expression tag
Ala -1	-	expression tag
Met 0	-	expression tag
Gly 1	-	expression tag
Ser 201	Cys 201	conflict
Ser 408	Cys 408	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	103985.8
Non-Polymers*	Number of molecules	5
	Total formula weight	373.9
All*	Total formula weight	104359.7

*Water molecules are not included.