› 5nr8

X-ray diffraction
1.35Å resolution

Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7a

Released:
DOI: 10.2210/pdb5nr8/pdb
PDB entry 5nr8 coloured by chain, front view.
PDB entry 5nr8 coloured by chain, side view.
PDB entry 5nr8 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma.
Mazur M, Olczak J, Olejniczak S, Koralewski R, Czestkowski W, Jedrzejczak A, Golab J, Dzwonek K, Dymek B, Sklepkiewicz PL, Zagozdzon A, Noonan T, Mahboubi K, Conway B, Sheeler R, Beckett P, Hungerford WM, Podjarny A, Mitschler A, Cousido-Siah A, Fadel F, Golebiowski A
J Med Chem 61 695-710 (2018)
PMID: 29283260

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
Macromolecule:
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; Coverage: 82%)
Gene name: CHIT1
Sequence domains: Glycosyl hydrolases family 18

Ligands and Environments

2 bound ligands:
Ligand 95N 1 x 95N
Ligand GOL 6 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P21212
Unit cell:
a: 85.897Å b: 106.006Å c: 42.158Å
α: 90° β: 90° γ: 90°
Expression system: Homo sapiens

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Citations

2 review citations

Chitinases and Chitinase-Like Proteins as Therapeutic Targets in Inflammatory Diseases, with a Special Focus on Inflammatory Bowel Diseases.
Mazur et al. (2021)
1 more

1 mention without citation

Discovery of Octahydroisoindolone as a Scaffold for the Selective Inhibition of Chitinase B1 from Aspergillus fumigatus: In Silico Drug Design Studies.
Marbán-González et al. (2021)