› 1v1j

X-ray diffraction
2.2Å resolution

Crystal structure of type II Dehydroquintae Dehydratase from Streptomyces coelicolor in complex with 3-fluoro

Released:
DOI: 10.2210/pdb1v1j/pdb
PDB entry 1v1j coloured by chain, front view.
PDB entry 1v1j coloured by chain, side view.
PDB entry 1v1j coloured by chain, top view.
Source organism: Streptomyces coelicolor
Primary publication:
(1R,4S,5R)-3-Fluoro-1,4,5-trihydroxy-2-cyclohexene-1-carboxylic acid: the fluoro analogue of the enolate intermediate in the reaction catalyzed by type II dehydroquinases.
Frederickson M, Roszak AW, Coggins JR, Lapthorn AJ, Abell C
Org Biomol Chem 2 1592-6 (2004)
PMID: 15162210

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-147381 (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: 157 amino acids
Theoretical weight: 16.7 KDa
Source organism: Streptomyces coelicolor
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P15474 (Residues: 1-157; Coverage: 100%)
Gene names: SCC54.21c, SCO1961, aroQ
Sequence domains: Dehydroquinase class II
Structure domains: Dehydroquinase, class II

Ligands and Environments

2 bound ligands:
Ligand FA3 12 x FA3
Ligand TRS 4 x TRS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ENRAF-NONIUS FR591
Spacegroup: P212121
Unit cell:
a: 116.475Å b: 138.941Å c: 141.925Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.217 0.215 0.238
Expression system: Escherichia coli BL21

Quick links

Citations

1 review citation

Progress in type II dehydroquinase inhibitors: from concept to practice.
González-Bello et al. (2007)
8 other articles

1 mention without citation

Structural and Biochemical Analysis of 3-Dehydroquinate Dehydratase from Corynebacterium glutamicum.
Lee et al. (2023)