› 4f4r

X-ray diffraction
1.8Å resolution

Crystal structure of D-mannonate dehydratase homolog from Chromohalobacter salexigens (Target EFI-502114), with bound NA, ordered loop

Released:
DOI: 10.2210/pdb4f4r/pdb
PDB entry 4f4r coloured by chain, front view.
PDB entry 4f4r coloured by chain, side view.
PDB entry 4f4r coloured by chain, top view.
Source organism: Chromohalobacter salexigens DSM 3043
Entry authors: Vetting MW, Toro R, Bhosle R, Al Obaidi NF, Morisco LL, Wasserman SR, Sojitra S, Washington E, Scott Glenn A, Chowdhury S, Evans B, Hammonds J, Hillerich B, Love J, Seidel RD, Imker HJ, Gerlt JA, Almo SC, Enzyme Function Initiative (EFI), Medical Structural Genomics of Pathogenic Protozoa (MSGPP)

Function and Biology Details

Reactions catalysed: 
D-gluconate = 2-dehydro-3-deoxy-D-gluconate + H(2)O
D-mannonate = 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 octamer
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-173010 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
D-galactonate dehydratase family member ManD Chain: A
Molecule details ›
Chain: A
Length: 426 amino acids
Theoretical weight: 47.96 KDa
Source organism: Chromohalobacter salexigens DSM 3043
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q1QT89 (Residues: 1-403; Coverage: 100%)
Gene names: Csal_2974, manD
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand NA 1 x NA
Ligand CL 1 x CL
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P422
Unit cell:
a: 111.389Å b: 111.389Å c: 84.576Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.146 0.145 0.171
Expression system: Escherichia coli BL21(DE3)

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