› 2imd

X-ray diffraction
1.6Å resolution

Structure of SeMet 2-hydroxychromene-2-carboxylate isomerase (HCCA isomerase)

Released:
DOI: 10.2210/pdb2imd/pdb
PDB entry 2imd coloured by chain, front view.
PDB entry 2imd coloured by chain, side view.
PDB entry 2imd coloured by chain, top view.
Source organism: Pseudomonas putida
Primary publication:
2-Hydroxychromene-2-carboxylic acid isomerase: a kappa class glutathione transferase from Pseudomonas putida.
Thompson LC, Ladner JE, Codreanu SG, Harp J, Gilliland GL, Armstrong RN
Biochemistry 46 6710-22 (2007)
PMID: 17508726

Function and Biology Details

Reaction catalysed: 
2-hydroxy-2H-chromene-2-carboxylate = (3E)-4-(2-hydroxyphenyl)-2-oxobut-3-enoate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-175992 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2-hydroxychromene-2-carboxylate isomerase Chain: A
Molecule details ›
Chain: A
Length: 203 amino acids
Theoretical weight: 23.36 KDa
Source organism: Pseudomonas putida
Expression system: Escherichia coli
UniProt:
  • Canonical: Q51948 (Residues: 1-203; Coverage: 100%)
Gene name: nahD
Sequence domains: DSBA-like thioredoxin domain
Structure domains: Glutaredoxin

Ligands and Environments


Cofactor: Ligand GSH 1 x GSH
4 bound ligands:
Ligand PO4 2 x PO4
Ligand TOH 1 x TOH
Ligand 2C2 1 x 2C2
Ligand CXS 1 x CXS
1 modified residue:
Ligand MSE 6 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P21212
Unit cell:
a: 71.336Å b: 76.051Å c: 38.366Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.187 0.226
Expression system: Escherichia coli

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Citations

4 review citations

Glutathione transferases in bacteria.
Allocati et al. (2009)
3 more