› 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:
DOI: 10.2210/pdb3g6m/pdb
PDB entry 3g6m coloured by chain, front view.
PDB entry 3g6m coloured by chain, side view.
PDB entry 3g6m coloured by chain, top view.
Source organism: Clonostachys rosea
Primary publication:
Crystal structure and mutagenesis analysis of chitinase CrChi1 from the nematophagous fungus Clonostachys rosea in complex with the inhibitor caffeine.
Yang J, Gan Z, Lou Z, Tao N, Mi Q, Liang L, Sun Y, Guo Y, Huang X, Zou C, Rao Z, Meng Z, Zhang KQ
Microbiology (Reading) 156 3566-3574 (2010)
PMID: 20829286

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:
Sequence domains:

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:
Ligand CFF 2 x CFF
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)

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Citations

5 review citations

Molecular mechanisms of nematode-nematophagous microbe interactions: basis for biological control of plant-parasitic nematodes.
Li et al. (2015)
4 more

3 mentions without citation

Prediction of protein targets of kinetin using in silico and in vitro methods: a case study on spinach seed germination mechanism.
Kumar et al. (2015)
2 more