› 3ch9

X-ray diffraction
2.2Å resolution

Crystal structure of Aspergillus fumigatus chitinase B1 in complex with dimethylguanylurea

Released:
DOI: 10.2210/pdb3ch9/pdb
PDB entry 3ch9 coloured by chain, front view.
PDB entry 3ch9 coloured by chain, side view.
PDB entry 3ch9 coloured by chain, top view.
Source organism: Aspergillus fumigatus
Primary publication:
Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin.
Andersen OA, Nathubhai A, Dixon MJ, Eggleston IM, van Aalten DM
OpenAccess logo 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:
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 13 x SO4
Ligand XRG 2 x XRG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P41
Unit cell:
a: 117.774Å b: 117.774Å c: 99.574Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.187 0.187 0.221
Expression system: Escherichia coli BL21(DE3)

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Citations

7 review citations

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

2 mentions without citation

Ligand deconstruction: Why some fragment binding positions are conserved and others are not.
Kozakov et al. (2015)
1 more