› 5t2y

X-ray diffraction
1.94Å resolution

Crystal Structure of C. jejuni PglD in complex with 5-methyl-4-(methylamino)-2-phenethylthieno[2,3-d]pyrimidine-6-carboxylic acid

Released:
DOI: 10.2210/pdb5t2y/pdb
PDB entry 5t2y coloured by chain, front view.
PDB entry 5t2y coloured by chain, side view.
PDB entry 5t2y coloured by chain, top view.
Source organism: Campylobacter jejuni subsp. jejuni NCTC 11168 = ATCC 700819
Primary publication:
Targeting Bacillosamine Biosynthesis in Bacterial Pathogens: Development of Inhibitors to a Bacterial Amino-Sugar Acetyltransferase from Campylobacter jejuni.
De Schutter JW, Morrison JP, Morrison MJ, Ciulli A, Imperiali B
J Med Chem 60 2099-2118 (2017)
PMID: 28182413

Function and Biology Details

Reaction catalysed: 
Acetyl-CoA + UDP-N-acetylbacillosamine = CoA + UDP-N,N'-diacetylbacillosamine
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171028 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
UDP-N-acetylbacillosamine N-acetyltransferase Chains: A, B
Molecule details ›
Chains: A, B
Length: 198 amino acids
Theoretical weight: 21.39 KDa
Source organism: Campylobacter jejuni subsp. jejuni NCTC 11168 = ATCC 700819
Expression system: Escherichia coli
UniProt:
  • Canonical: Q0P9D1 (Residues: 1-195; Coverage: 100%)
Gene names: Cj1123c, pglD
Sequence domains: PglD N-terminal domain
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand 753 2 x 753
Ligand GOL 3 x GOL
Ligand DMS 2 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: P3
Unit cell:
a: 106.696Å b: 106.696Å c: 46.941Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.156 0.154 0.191
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Dismantling the bacterial glycocalyx: Chemical tools to probe, perturb, and image bacterial glycans.
Luong et al. (2021)
1 more

2 mentions without citation

Thienopyrimidine: A Promising Scaffold to Access Anti-Infective Agents.
Lagardère et al. (2021)
1 more