› 2wm0

X-ray diffraction
1.9Å resolution

Chitinase A from Serratia marcescens ATCC990 in complex with Chitobio- thiazoline thioamide.

Released:
DOI: 10.2210/pdb2wm0/pdb
PDB entry 2wm0 coloured by chain, front view.
PDB entry 2wm0 coloured by chain, side view.
PDB entry 2wm0 coloured by chain, top view.
Source organism: Serratia marcescens
Primary publication:
Chitinase inhibition by chitobiose and chitotriose thiazolines.
Macdonald JM, Tarling CA, Taylor EJ, Dennis RJ, Myers DS, Knapp S, Davies GJ, Withers SG
Angew Chem Int Ed Engl 49 2599-602 (2010)
PMID: 20209544

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-139457 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Chitinase A Chain: A
Molecule details ›
Chain: A
Length: 548 amino acids
Theoretical weight: 59.76 KDa
Source organism: Serratia marcescens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P07254 (Residues: 24-563; Coverage: 100%)
Gene name: chiA
Sequence domains:
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
3 bound ligands:
Ligand NGT 1 x NGT
Ligand DIO 1 x DIO
Ligand PEG 1 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: C2221
Unit cell:
a: 130.823Å b: 201.022Å c: 59.27Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.161 0.159 0.195
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Stabilizing biocatalysts.
Bommarius et al. (2013)
2 more

1 mention without citation

Identification of PPARgamma partial agonists of natural origin (I): development of a virtual screening procedure and in vitro validation.
Guasch et al. (2012)