› 8a3h

X-ray diffraction
0.97Å resolution

Cellobiose-derived imidazole complex of the endoglucanase cel5A from Bacillus agaradhaerens at 0.97 A resolution

Released:
DOI: 10.2210/pdb8a3h/pdb
PDB entry 8a3h coloured by chain, front view.
PDB entry 8a3h coloured by chain, side view.
PDB entry 8a3h coloured by chain, top view.
Source organism: Salipaludibacillus agaradhaerens
Primary publication:
Lateral Protonation of a Glycosidase Inhibitor. Structure of the Bacillus agaradhaerens Cel5A in Complex with a Cellobiose-Derived Imidazole at 0.97 A Resolution
Varrot A, Schulein M, Pipelier M, Vasella A, Davies GJ
J. Am. Chem. Soc. 121 2621-2622 (1999)

Function and Biology Details

Reaction catalysed: 
Endohydrolysis of (1->4)-beta-D-glucosidic linkages in cellulose, lichenin and cereal beta-D-glucans
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-131438 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Endoglucanase 5A Chain: A
Molecule details ›
Chain: A
Length: 303 amino acids
Theoretical weight: 34 KDa
Source organism: Salipaludibacillus agaradhaerens
Expression system: Bacillus subtilis
UniProt:
  • Canonical: O85465 (Residues: 27-329; Coverage: 81%)
Gene name: cel5A
Sequence domains: Cellulase (glycosyl hydrolase family 5)
Structure domains: Glycosidases

Ligands and Environments

4 bound ligands:
Ligand SO4 1 x SO4
Ligand ACT 1 x ACT
Ligand IDC 1 x IDC
Ligand GOL 7 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X11
Spacegroup: P212121
Unit cell:
a: 54.45Å b: 69.88Å c: 77.32Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.104 0.104 0.118
Expression system: Bacillus subtilis

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Citations

3 mentions without citation

Hydration water and bulk water in proteins have distinct properties in radial distributions calculated from 105 atomic resolution crystal structures.
Chen et al. (2008)
2 more