› 1o6i

X-ray diffraction
1.7Å resolution

Chitinase B from Serratia marcescens complexed with the catalytic intermediate mimic cyclic dipeptide CI4.

Released:
DOI: 10.2210/pdb1o6i/pdb
PDB entry 1o6i coloured by chain, front view.
PDB entry 1o6i coloured by chain, side view.
PDB entry 1o6i coloured by chain, top view.
Source organism: Serratia marcescens
Primary publication:
The cyclic dipeptide CI-4 [cyclo-(l-Arg-d-Pro)] inhibits family 18 chitinases by structural mimicry of a reaction intermediate.
Houston DR, Eggleston I, Synstad B, Eijsink VG, van Aalten DM
Biochem J 368 23-7 (2002)
PMID: 12323074

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 domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145922 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Chitinase B Chains: A, B
Molecule details ›
Chains: A, B
Length: 499 amino acids
Theoretical weight: 55.52 KDa
Source organism: Serratia marcescens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P11797 (Residues: 1-499; Coverage: 100%)
Gene name: chiB
Sequence domains: Glycosyl hydrolases family 18
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand 0HZ 2 x 0HZ
Ligand GOL 31 x GOL
Ligand SO4 6 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P212121
Unit cell:
a: 55.805Å b: 103.743Å c: 186.283Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.17 0.17 0.195
Expression system: Escherichia coli BL21

Quick links

Citations

5 review citations

Natural product family 18 chitinase inhibitors.
Andersen et al. (2005)
4 more

4 mentions without citation

The importance of intrinsic disorder for protein phosphorylation.
Iakoucheva et al. (2004)
3 more