› 3twb

X-ray diffraction
1.76Å resolution

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

Released:
DOI: 10.2210/pdb3twb/pdb
PDB entry 3twb coloured by chain, front view.
PDB entry 3twb coloured by chain, side view.
PDB entry 3twb coloured by chain, top view.
Source organism: Salmonella enterica subsp. enterica serovar Enteritidis str. P125109
Entry authors: Patskovsky Y, Toro R, Bhosle R, Hillerich B, Seidel RD, Washington E, Scott Glenn A, Chowdhury S, Evans B, Hammonds J, Zencheck WD, Imker HJ, Gerlt JA, Almo SC, Enzyme Function Initiative (EFI)

Function and Biology Details

Reaction catalysed: 
D-gluconate = 2-dehydro-3-deoxy-D-gluconate + H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
homo dimer (preferred)
homo octamer
Assembly name:
PDBe Complex ID:
PDB-CPX-110227 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
D-galactonate dehydratase family member SEN1436 Chains: A, B, C, D, E
Molecule details ›
Chains: A, B, C, D, E
Length: 442 amino acids
Theoretical weight: 49.04 KDa
Source organism: Salmonella enterica subsp. enterica serovar Enteritidis str. P125109
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: B5R541 (Residues: 1-419; Coverage: 100%)
Gene name: SEN1436
Sequence domains:
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand MG 5 x MG
Ligand GOL 7 x GOL
Ligand CL 3 x CL
Ligand GCO 5 x GCO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: I422
Unit cell:
a: 144.727Å b: 144.727Å c: 446.996Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.171 0.17 0.206
Expression system: Escherichia coli BL21(DE3)

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