› 1hkj

X-ray diffraction
2.6Å resolution

Crystal structure of human chitinase in complex with methylallosamidin

Released:
DOI: 10.2210/pdb1hkj/pdb
PDB entry 1hkj coloured by chain, front view.
PDB entry 1hkj coloured by chain, side view.
PDB entry 1hkj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of allosamidin derivatives in complex with human macrophage chitinase.
Rao FV, Houston DR, Boot RG, Aerts JM, Sakuda S, van Aalten DM
J Biol Chem 278 20110-6 (2003)
PMID: 12639956

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-171609 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Chitotriosidase-1 Chain: A
Molecule details ›
Chain: A
Length: 365 amino acids
Theoretical weight: 40.78 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: Q13231 (Residues: 22-386; Coverage: 82%)
Gene name: CHIT1
Sequence domains: Glycosyl hydrolases family 18
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAA, NA1
Carbohydrate polymer
1 bound ligand:
Ligand AMI 1 x AMI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X11
Spacegroup: P43212
Unit cell:
a: 93.99Å b: 93.99Å c: 87.086Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.211 0.211 0.258

Quick links

Citations

7 review citations

Biomarkers in the diagnosis of lysosomal storage disorders: proteins, lipids, and inhibodies.
Aerts et al. (2011)
6 more

1 mention without citation

Crystal structures of the GH18 domain of the bifunctional peroxiredoxin-chitinase CotE from Clostridium difficile.
Whittingham et al. (2020)