› 2c57

X-ray diffraction
3.1Å resolution

H.pylori type II dehydroquinase in complex with FA1

Released:
DOI: 10.2210/pdb2c57/pdb
PDB entry 2c57 coloured by chain, front view.
PDB entry 2c57 coloured by chain, side view.
PDB entry 2c57 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 dodecamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-175340 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-dehydroquinate dehydratase Chains: A, B, C, D, E, F, G, H, I, J, K, L
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L
Length: 180 amino acids
Theoretical weight: 19.96 KDa
Source organism: Helicobacter pylori
Expression system: Escherichia coli BL21
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 FA1 12 x FA1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX9.5
Spacegroup: P31
Unit cell:
a: 103.863Å b: 103.863Å c: 217.531Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.21 0.207 0.237
Expression system: Escherichia coli BL21

Quick links

Citations

13 citation in other articles

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

1 mention without citation

Clustered PHD domains in KMT2/MLL proteins are attracted by H3K4me3 and H3 acetylation-rich active promoters and enhancers.
Stroynowska-Czerwinska et al. (2023)