› 6tn3

X-ray diffraction
2.28Å resolution

Crystal Structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase in complex with GlcNAc-1P

Released:
DOI: 10.2210/pdb6tn3/pdb
PDB entry 6tn3 coloured by chain, front view.
PDB entry 6tn3 coloured by chain, side view.
PDB entry 6tn3 coloured by chain, top view.
Source organism: Aspergillus fumigatus Af293
Primary publication:
A mechanism-inspired UDP-N-acetylglucosamine pyrophosphorylase inhibitor.
Raimi OG, Hurtado-Guerrero R, Borodkin V, Ferenbach A, Urbaniak MD, Ferguson MAJ, van Aalten DMF
RSC Chem Biol 1 13-25 (2020)
PMID: 34458745

Function and Biology Details

Reaction catalysed: 
UTP + N-acetyl-alpha-D-glucosamine 1-phosphate = diphosphate + UDP-N-acetyl-alpha-D-glucosamine
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-175800 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
UDP-N-acetylglucosamine diphosphorylase Chains: A, B
Molecule details ›
Chains: A, B
Length: 509 amino acids
Theoretical weight: 56.79 KDa
Source organism: Aspergillus fumigatus Af293
Expression system: Escherichia coli
UniProt:
  • Canonical: Q4WAR0 (Residues: 1-509; Coverage: 100%)
Gene name: AFUA_7G02180
Sequence domains: UTP--glucose-1-phosphate uridylyltransferase

Ligands and Environments

2 bound ligands:
Ligand PO4 1 x PO4
Ligand GN1 1 x GN1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM14
Spacegroup: P212121
Unit cell:
a: 55.736Å b: 138.14Å c: 145.126Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.206 0.259
Expression system: Escherichia coli

Quick links

Citations

2 review citations

The Hexosamine Biosynthesis Pathway: Regulation and Function.
Paneque et al. (2023)
1 more

3 mentions without citation

In Vitro and In Silico Approaches for the Evaluation of Antimicrobial Activity, Time-Kill Kinetics, and Anti-Biofilm Potential of Thymoquinone (2-Methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione) against Selected Human Pathogens.
Qureshi et al. (2022)
2 more