› 2c4v

X-ray diffraction
2.5Å resolution

H. pylori type II DHQase in complex with citrate

Released:
DOI: 10.2210/pdb2c4v/pdb
PDB entry 2c4v coloured by chain, front view.
PDB entry 2c4v coloured by chain, side view.
PDB entry 2c4v coloured by chain, top view.
Source organism: Helicobacter pylori
Primary publication:
Crystal structures of Helicobacter pylori type II dehydroquinase inhibitor complexes: new directions for inhibitor design.
Robinson DA, Stewart KA, Price NC, Chalk PA, Coggins JR, Lapthorn AJ
J Med Chem 49 1282-90 (2006)
PMID: 16480265

Function and Biology Details

Reaction catalysed: 
3-dehydroquinate = 3-dehydroshikimate + H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-175341 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-dehydroquinate dehydratase Chain: A
Molecule details ›
Chain: A
Length: 167 amino acids
Theoretical weight: 18.5 KDa
Source organism: Helicobacter pylori
Expression system: Escherichia coli
UniProt:
  • Canonical: Q48255 (Residues: 1-167; Coverage: 100%)
Gene names: HP_1038, aroQ
Sequence domains: Dehydroquinase class II
Structure domains: Dehydroquinase, class II

Ligands and Environments

1 bound ligand:
Ligand CIT 1 x CIT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE BL-6A
Spacegroup: P4232
Unit cell:
a: 98.91Å b: 98.91Å c: 98.91Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.17 0.212
Expression system: Escherichia coli

Quick links

Citations

12 citation in other articles

Hierarchical virtual screening for the discovery of new molecular scaffolds in antibacterial hit identification.
Ballester et al. (2012)
11 more

2 mentions without citation

Contribution to the prediction of the fold code: application to immunoglobulin and flavodoxin cases.
Banach et al. (2015)
1 more