› 2xtk

X-ray diffraction
2Å resolution

ChiA1 from Aspergillus fumigatus in complex with acetazolamide

Released:
DOI: 10.2210/pdb2xtk/pdb
PDB entry 2xtk coloured by chain, front view.
PDB entry 2xtk coloured by chain, side view.
PDB entry 2xtk coloured by chain, top view.
Source organism: Aspergillus fumigatus A1163
Primary publication:
Acetazolamide-based fungal chitinase inhibitors.
Schüttelkopf AW, Gros L, Blair DE, Frearson JA, van Aalten DM, Gilbert IH
Bioorg Med Chem 18 8334-40 (2010)
PMID: 21044846

Function and Biology Details

Reaction catalysed: 
Random endo-hydrolysis of N-acetyl-beta-D-glucosaminide (1->4)-beta-linkages in chitin and chitodextrins
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-109269 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
chitinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 310 amino acids
Theoretical weight: 34.09 KDa
Source organism: Aspergillus fumigatus A1163
Expression system: Komagataella pastoris
UniProt:
  • Canonical: B0Y2Y2 (Residues: 29-337; Coverage: 37%)
Gene name: AFUB_052270
Sequence domains: Glycosyl hydrolases family 18
Structure domains: Glycosidases

Ligands and Environments

2 bound ligands:
Ligand AZM 2 x AZM
Ligand PO4 16 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-3
Spacegroup: I212121
Unit cell:
a: 76.638Å b: 125.831Å c: 211.688Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.218 0.216 0.249
Expression system: Komagataella pastoris

Quick links

Citations

2 review citations

The biology and chemistry of antifungal agents: a review.
Kathiravan et al. (2012)
1 more

4 mentions without citation

Virulence Vs. Immunomodulation: Roles of the Paracoccin Chitinase and Carbohydrate-Binding Sites in Paracoccidioides brasiliensis Infection.
Pitangui et al. (2021)
3 more