› 3art

X-ray diffraction
2.23Å resolution

Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with DEQUALINIUM

Released:
DOI: 10.2210/pdb3art/pdb
PDB entry 3art coloured by chain, front view.
PDB entry 3art coloured by chain, side view.
PDB entry 3art coloured by chain, top view.
Source organism: Vibrio harveyi
Primary publication:
Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms.
Pantoom S, Vetter IR, Prinz H, Suginta W
J Biol Chem 286 24312-23 (2011)
PMID: 21531720

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-189592 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
GH18 domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 584 amino acids
Theoretical weight: 63.71 KDa
Source organism: Vibrio harveyi
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9AMP1 (Residues: 22-597; Coverage: 70%)
Gene name: chiA
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand DEQ 3 x DEQ
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BRUKER AXS MICROSTAR
Spacegroup: P212121
Unit cell:
a: 66.6Å b: 84.15Å c: 102.6Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.165 0.162 0.229
Expression system: Escherichia coli

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Citations

9 citation in other articles

Deep Generative Models for 3D Linker Design.
Imrie et al. (2020)
8 more

1 mention without citation

Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms.
Pantoom et al. (2011)