4XGP

Crystal Structure of E112A/H234A Mutant of Stationary Phase Survival Protein (SurE) from Salmonella typhimurium co-crystallized and soaked with AMP.

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 (A, B, C, D)	5'/3'-nucleotidase SurE	polymer	267	28490.0	4	UniProt (P66881) Pfam (PF01975)	Salmonella typhimurium LT2	Exopolyphosphatase,Nucleoside monophosphate phosphohydrolase
2	E, H, J, N (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
3	F (A)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
4	G (A)	ADENINE	non-polymer		135.1	1	Chemie (ADE)
5	I, K, L, M, O (B, C, D)	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
6	P, Q, R, S (A, B, C, D)	water	water		18.0	991	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	11
	Total formula weight	637.7
All*	Total formula weight	114597.7

*Water molecules are not included.