› 4hkt

X-ray diffraction
2Å resolution

Crystal structure of a putative myo-inositol dehydrogenase from Sinorhizobium meliloti 1021 (Target PSI-012312)

Released:
DOI: 10.2210/pdb4hkt/pdb
PDB 4hkt coloured by chain and viewed from the front.
PDB 4hkt coloured by chain and viewed from the side.
PDB 4hkt coloured by chain and viewed from the top.
Source organism: Sinorhizobium meliloti 1021
Entry authors: Sampathkumar P, Almo SC, New York Structural Genomics Research Consortium (NYSGRC)

Function and Biology Details

Reaction catalysed: 
Myo-inositol + NAD(+) = 2,4,6/3,5-pentahydroxycyclohexanone + NADH
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Inositol 2-dehydrogenase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 331 amino acids
Theoretical weight: 35.61 KDa
Source organism: Sinorhizobium meliloti 1021
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O68965 (Residues: 1-330; Coverage: 100%)
Gene names: RB1194, SMb20899, idhA, iolG
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand EDO 22 x EDO
Ligand NA 2 x NA
Ligand GOL 5 x GOL
1 modified residue:
Ligand MSE 28 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P21
Unit cell:
a: 90.449Å b: 55.467Å c: 149.091Å
α: 90° β: 97.56° γ: 90°
R-values:
R R work R free
0.188 0.186 0.232
Expression system: Escherichia coli BL21(DE3)

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