› 5jq9

X-ray diffraction
2.1Å resolution

Yersinia pestis DHPS with pterine-sulfa conjugate Compound 16

Released:
DOI: 10.2210/pdb5jq9/pdb
PDB entry 5jq9 coloured by chain, front view.
PDB entry 5jq9 coloured by chain, side view.
PDB entry 5jq9 coloured by chain, top view.
Source organism: Yersinia pestis KIM D27
Primary publication:
Pterin-sulfa conjugates as dihydropteroate synthase inhibitors and antibacterial agents.
Zhao Y, Shadrick WR, Wallace MJ, Wu Y, Griffith EC, Qi J, Yun MK, White SW, Lee RE
Bioorg Med Chem Lett 26 3950-4 (2016)
PMID: 27423480

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-104507 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydropteroate synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 279 amino acids
Theoretical weight: 30.18 KDa
Source organism: Yersinia pestis KIM D27
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A2S9PLG4 (Residues: 1-277; Coverage: 100%)
Gene names: YPO3501, dhpS, folP
Sequence domains: Pterin binding enzyme
Structure domains: Dihydropteroate synthase-like

Ligands and Environments

2 bound ligands:
Ligand 6MB 2 x 6MB
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: P21
Unit cell:
a: 70.687Å b: 49.897Å c: 74.279Å
α: 90° β: 89.78° γ: 90°
R-values:
R R work R free
0.225 0.224 0.254
Expression system: Escherichia coli

Quick links

Citations

3 review citations

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

1 mention without citation

Pterin-sulfa conjugates as dihydropteroate synthase inhibitors and antibacterial agents.
Zhao et al. (2016)