› 5u0v

X-ray diffraction
1.7Å resolution

E. coli dihydropteroate synthase complexed with 6-methylamino-5-nitrosoisocytosine

Released:
DOI: 10.2210/pdb5u0v/pdb
PDB entry 5u0v coloured by chain, front view.
PDB entry 5u0v coloured by chain, side view.
PDB entry 5u0v coloured by chain, top view.
Source organism: Escherichia coli CFT073
Primary publication:
8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Dennis ML, Lee MD, Harjani JR, Ahmed M, DeBono AJ, Pitcher NP, Wang ZC, Chhabra S, Barlow N, Rahmani R, Cleary B, Dolezal O, Hattarki M, Aurelio L, Shonberg J, Graham B, Peat TS, Baell JB, Swarbrick JD
Chemistry 24 1922-1930 (2018)
PMID: 29171692

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 analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-199626 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydropteroate synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 284 amino acids
Theoretical weight: 30.8 KDa
Source organism: Escherichia coli CFT073
Expression system: Escherichia coli BL21(DE3)
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 7VJ 2 x 7VJ
Ligand NA 2 x NA
Ligand ACY 1 x ACY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P21
Unit cell:
a: 43.605Å b: 85.016Å c: 82.085Å
α: 90° β: 102.83° γ: 90°
R-values:
R R work R free
0.177 0.175 0.206
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Folic Acid Antagonists: Antimicrobial and Immunomodulating Mechanisms and Applications.
Fernández-Villa et al. (2019)
1 more

3 mentions without citation

Photocatalytic and bactericidal properties and molecular docking analysis of TiO2 nanoparticles conjugated with Zr for environmental remediation.
Ikram et al. (2020)
2 more