4XER

Crystal Structure of C2 form of E112A/H234A Mutant of Stationary Phase Survival Protein (SurE) from Salmonella typhimurium

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	5'/3'-nucleotidase SurE	polymer	267	28490.0	4	UniProt (P66881) Pfam (PF01975) In PDB	Salmonella typhimurium LT2	Exopolyphosphatase,Nucleoside monophosphate phosphohydrolase
2	A	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
3	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
4	B, C	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
5	B	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	1	Chemie (MPD)
6	B, C, D	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
7		water	water		18.0	878	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 253 (UniProt: P66881)

PDB	External Database	Details
Met -13	-	expression tag
Arg -12	-	expression tag
Gly -11	-	expression tag
Ser -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
Gly -3	-	expression tag
Met -2	-	expression tag
Ala -1	-	expression tag
Ser 0	-	expression tag
Ala 112	Glu 112	engineered mutation
Ala 234	His 234	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	113960.0
Non-Polymers*	Number of molecules	8
	Total formula weight	480.2
All*	Total formula weight	114440.2

*Water molecules are not included.