› 6tdf

X-ray diffraction
2.01Å resolution

Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 3

Released:
DOI: 10.2210/pdb6tdf/pdb
PDB entry 6tdf coloured by chain, front view.
PDB entry 6tdf coloured by chain, side view.
PDB entry 6tdf coloured by chain, top view.
Source organism: Aspergillus fumigatus Af293
Primary publication:
Targeting a critical step in fungal hexosamine biosynthesis.
Lockhart DEA, Stanley M, Raimi OG, Robinson DA, Boldovjakova D, Squair DR, Ferenbach AT, Fang W, van Aalten DMF
J Biol Chem 295 8678-8691 (2020)
PMID: 32341126

Function and Biology Details

Reaction catalysed: 
Acetyl-CoA + D-glucosamine 6-phosphate = CoA + N-acetyl-D-glucosamine 6-phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-175807 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
N-acetyltransferase domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 190 amino acids
Theoretical weight: 21.13 KDa
Source organism: Aspergillus fumigatus Af293
Expression system: Escherichia coli
UniProt:
  • Canonical: Q4WCU5 (Residues: 1-190; Coverage: 100%)
Gene name: AFUA_6G02460
Sequence domains: Acetyltransferase (GNAT) family

Ligands and Environments


Cofactor: Ligand ACO 1 x ACO
2 bound ligands:
Ligand N3Q 1 x N3Q
Ligand G6P 1 x G6P
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID30B
Spacegroup: C2221
Unit cell:
a: 70.96Å b: 101.71Å c: 55.91Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.213 0.211 0.264
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Fragment-to-Lead Medicinal Chemistry Publications in 2020.
de Esch et al. (2022)
1 more

1 mention without citation

Targeting a critical step in fungal hexosamine biosynthesis.
Lockhart et al. (2020)