› 1aj0

X-ray diffraction
2Å resolution

CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI DIHYDROPTEROATE SYNTHASE

Released:
DOI: 10.2210/pdb1aj0/pdb
PDB entry 1aj0 coloured by chain, front view.
PDB entry 1aj0 coloured by chain, side view.
PDB entry 1aj0 coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Crystal structure of the anti-bacterial sulfonamide drug target dihydropteroate synthase.
Achari A, Somers DO, Champness JN, Bryant PK, Rosemond J, Stammers DK
Nat Struct Biol 4 490-7 (1997)
PMID: 9187658

Function and Biology Details

Reaction catalysed: 
6-hydroxymethyl-7,8-dihydropterin diphosphate + 4-aminobenzoate = diphosphate + dihydropteroate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-142227 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydropteroate synthase Chain: A
Molecule details ›
Chain: A
Length: 282 amino acids
Theoretical weight: 30.65 KDa
Source organism: Escherichia coli
UniProt:
  • Canonical: P0AC13 (Residues: 1-282; Coverage: 100%)
Gene names: JW3144, b3177, dhpS, folP
Sequence domains: Pterin binding enzyme
Structure domains: Dihydropteroate synthase-like

Ligands and Environments

3 bound ligands:
Ligand SO4 1 x SO4
Ligand PH2 1 x PH2
Ligand SAN 1 x SAN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH2R
Unit cell:
a: 92.91Å b: 60.67Å c: 59.82Å
α: 90° β: 114.67° γ: 90°
R-values:
R R work R free
0.206 0.206 not available

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Citations

25 review citations

Drugs, their targets and the nature and number of drug targets.
Imming et al. (2006)
24 more

18 mentions without citation

Sulfadoxine resistance in Plasmodium vivax is associated with a specific amino acid in dihydropteroate synthase at the putative sulfadoxine-binding site.
Korsinczky et al. (2004)
17 more