3g6m

X-ray diffraction
1.65Å resolution

crystal structure of a chitinase CrChi1 from the nematophagous fungus Clonostachys rosea in complex with a potent inhibitor caffeine

Released:

Function and Biology Details

Reaction catalysed:
Random endo-hydrolysis of N-acetyl-beta-D-glucosaminide (1->4)-beta-linkages in chitin and chitodextrins
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-109008 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
chitinase Chain: A
Molecule details ›
Chain: A
Length: 406 amino acids
Theoretical weight: 44.05 KDa
Source organism: Clonostachys rosea
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A9LI60 (Residues: 21-426; Coverage: 100%)
Gene name: Crchi1
Sequence domains: Glycosyl hydrolases family 18
Structure domains:

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P21
Unit cell:
a: 44.161Å b: 72.038Å c: 59.298Å
α: 90° β: 91.24° γ: 90°
R-values:
R R work R free
0.185 0.182 0.23
Expression system: Escherichia coli BL21(DE3)