› 6jay

X-ray diffraction
1.5Å resolution

Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 in complex with a dipyrido-pyrimidine derivative

Released:
DOI: 10.2210/pdb6jay/pdb
PDB entry 6jay coloured by chain, front view.
PDB entry 6jay coloured by chain, side view.
PDB entry 6jay coloured by chain, top view.
Source organism: Ostrinia furnacalis
Primary publication:
Structural dissection reveals a general mechanistic principle for group II chitinase (ChtII) inhibition.
Chen W, Zhou Y, Yang Q
J Biol Chem 294 9358-9364 (2019)
PMID: 31053640

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-103945 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Group II chitinase Chain: A
Molecule details ›
Chain: A
Length: 389 amino acids
Theoretical weight: 44.47 KDa
Source organism: Ostrinia furnacalis
Expression system: Komagataella phaffii GS115
UniProt:
  • Canonical: A0A221ZS22 (Residues: 1606-2004; Coverage: 13%)
Sequence domains: Glycosyl hydrolases family 18

Ligands and Environments

2 bound ligands:
Ligand NAG 1 x NAG
Ligand JUK 1 x JUK
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NFPSS BEAMLINE BL18U
Spacegroup: P41212
Unit cell:
a: 98.529Å b: 98.529Å c: 94.447Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.173 0.173 0.184
Expression system: Komagataella phaffii GS115

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Citations

1 review citation

Review on Structures of Pesticide Targets.
Li et al. (2020)
3 other articles

1 mention without citation

Structural dissection reveals a general mechanistic principle for group II chitinase (ChtII) inhibition.
Chen et al. (2019)