› 2iuz

X-ray diffraction
1.95Å resolution

Crystal structure of Aspergillus fumigatus chitinase B1 in complex with C2-dicaffeine

Released:
DOI: 10.2210/pdb2iuz/pdb
PDB entry 2iuz coloured by chain, front view.
PDB entry 2iuz coloured by chain, side view.
PDB entry 2iuz coloured by chain, top view.
Source organism: Aspergillus fumigatus
Primary publication:
Screening-based discovery and structural dissection of a novel family 18 chitinase inhibitor.
Schüttelkopf AW, Andersen OA, Rao FV, Allwood M, Lloyd C, Eggleston IM, van Aalten DM
J Biol Chem 281 27278-85 (2006)
PMID: 16844689

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 domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-183289 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Endochitinase B1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 433 amino acids
Theoretical weight: 47.66 KDa
Source organism: Aspergillus fumigatus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q873X9 (Residues: 1-433; Coverage: 100%)
Gene name: chiB1
Sequence domains: Glycosyl hydrolases family 18
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand SO4 11 x SO4
Ligand D1H 2 x D1H
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM14
Spacegroup: P41
Unit cell:
a: 116.782Å b: 116.782Å c: 99.42Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.187 0.187 0.223
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

The cell wall: a carbohydrate armour for the fungal cell.
Latgé JP. (2007)
4 more

1 mention without citation

A Plumieridine-Rich Fraction From Allamanda polyantha Inhibits Chitinolytic Activity and Exhibits Antifungal Properties Against Cryptococcus neoformans.
Silva E Souza et al. (2020)