› 4k1w

X-ray diffraction
1.65Å resolution

Crystal structure of the A314P mutant of mannonate dehydratase from novosphingobium aromaticivorans complexed with mg and d-mannonate

Released:
DOI: 10.2210/pdb4k1w/pdb
PDB entry 4k1w coloured by chain, front view.
PDB entry 4k1w coloured by chain, side view.
PDB entry 4k1w coloured by chain, top view.
Source organism: Novosphingobium aromaticivorans DSM 12444
Entry authors: Fedorov AA, Fedorov EV, Wichelecki D, Gerlt JA, Almo SC

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-500447 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
D-mannonate dehydratase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 418 amino acids
Theoretical weight: 47.13 KDa
Source organism: Novosphingobium aromaticivorans DSM 12444
Expression system: Escherichia coli
UniProt:
  • Canonical: A4XF23 (Residues: 1-402; Coverage: 100%)
Gene names: Saro_3675, manD
Sequence domains:
Structure domains:

Ligands and Environments

6 bound ligands:
Ligand MG 5 x MG
Ligand CS2 4 x CS2
Ligand PGE 4 x PGE
Ligand CO2 5 x CO2
Ligand PDO 4 x PDO
Ligand CO3 1 x CO3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: C2221
Unit cell:
a: 116.223Å b: 165.363Å c: 167.197Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.158 0.157 0.184
Expression system: Escherichia coli

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