› 3che

X-ray diffraction
2.05Å resolution

Crystal structure of Aspergillus fumigatus chitinase B1 in complex with tripeptide

Released:
DOI: 10.2210/pdb3che/pdb
PDB entry 3che coloured by chain, front view.
PDB entry 3che coloured by chain, side view.
PDB entry 3che coloured by chain, top view.
Source organisms:
Primary publication:
Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin.
Andersen OA, Nathubhai A, Dixon MJ, Eggleston IM, van Aalten DM
Chem Biol 15 295-301 (2008)
PMID: 18355729

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:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-163459 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
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:
Peptide inhibitor Chains: C, D
Molecule details ›
Chains: C, D
Length: 4 amino acids
Theoretical weight: 534 Da
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand SO4 12 x SO4
2 modified residues:
Ligand VR0 2 x VR0
Ligand MEA 2 x MEA

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P41
Unit cell:
a: 117.419Å b: 117.419Å c: 99.538Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.172 0.195
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

7 review citations

Mechanistic insights into glycosidase chemistry.
Vocadlo et al. (2008)
6 more

2 mentions 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)
1 more