› 1ocq

X-ray diffraction
1.08Å resolution

COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHEARANS AT 1.08 ANGSTROM RESOLUTION with cellobio-derived isofagomine

Released:
DOI: 10.2210/pdb1ocq/pdb
PDB entry 1ocq coloured by chain, front view.
PDB entry 1ocq coloured by chain, side view.
PDB entry 1ocq coloured by chain, top view.
Source organism: Salipaludibacillus agaradhaerens
Primary publication:
Direct observation of the protonation state of an imino sugar glycosidase inhibitor upon binding.
Varrot A, Tarling CA, Macdonald JM, Stick RV, Zechel DL, Withers SG, Davies GJ
J Am Chem Soc 125 7496-7 (2003)
PMID: 12812472

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 IFM 1 x IFM
Ligand BGC 1 x BGC
Ligand GOL 2 x GOL
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P212121
Unit cell:
a: 55.023Å b: 69.677Å c: 76.899Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.115 0.115 0.127
Expression system: Bacillus subtilis

Quick links

Citations

2 review citations

Dissecting the catalytic mechanism of a plant beta-D-glucan glucohydrolase through structural biology using inhibitors and substrate analogues.
Hrmova et al. (2007)
1 more

1 mention without citation

Glycosidase inhibition: assessing mimicry of the transition state.
Gloster et al. (2010)