3TWB

Crystal structure of gluconate dehydratase (TARGET EFI-501679) from Salmonella enterica subsp. enterica serovar Enteritidis str. P125109 complexed with magnesium and gluconic acid

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, E (A, B, C, D, E)	Putative dehydratase	polymer	442	49042.7	5	UniProt (B5R541) Pfam (PF02746) Pfam (PF13378)	Salmonella enterica subsp. enterica serovar Enteritidis
2	F, K, N, S, W (A, B, C, D, E)	MAGNESIUM ION	non-polymer		24.3	5	Chemie (MG)
3	G, J, L, O, Q... (A, B, C, D)	GLYCEROL	non-polymer		92.1	7	Chemie (GOL)
4	H, P, X (A, C, E)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
5	I, M, R, U, Y (A, B, C, D, E)	D-gluconic acid	non-polymer		196.2	5	Chemie (GCO)
6	AA, BA, CA, DA, Z (B, C, D, E, A)	water	water		18.0	2016	Chemie (HOH)

Sequence modifications

A, B, C, D, E: 1 - 419 (UniProt: B5R541)

PDB	External Database	Details
Met -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
Ser -15	-	expression tag
Ser -14	-	expression tag
Gly -13	-	expression tag
Val -12	-	expression tag
Asp -11	-	expression tag
Leu -10	-	expression tag
Gly -9	-	expression tag
Thr -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Ser -1	-	expression tag
Met 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	245213.7
Non-Polymers*	Number of molecules	20
	Total formula weight	1853.3
All*	Total formula weight	247067.0

*Water molecules are not included.