› 4wk9

X-ray diffraction
1.1Å resolution

Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (0.3mM) at 1.10 A resolution

Released:
DOI: 10.2210/pdb4wk9/pdb
PDB entry 4wk9 coloured by chain, front view.
PDB entry 4wk9 coloured by chain, side view.
PDB entry 4wk9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Fadel F, Zhao Y, Cachau R, Cousido-Siah A, Ruiz FX, Harlos K, Howard E, Mitschler A, Podjarny A
Acta Crystallogr D Biol Crystallogr 71 1455-70 (2015)
PMID: 26143917

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 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: 377 amino acids
Theoretical weight: 42.22 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: Q13231 (Residues: 22-387, 392-392; Coverage: 83%)
Gene name: CHIT1
Sequence domains: Glycosyl hydrolases family 18
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P21212
Unit cell:
a: 85.67Å b: 106.182Å c: 41.435Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.14 0.139 0.154
Expression system: Homo sapiens

Quick links

Citations

4 review citations

Immunomodulatory Effects of Chitotriosidase Enzyme.
Elmonem et al. (2016)
3 more