› 1h11

X-ray diffraction
1.08Å resolution

2-DEOXY-2-FLURO-B-D-CELLOTRIOSYL/ENZYME INTERMEDIATE COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHEARANS AT 1.08 ANGSTROM RESOLUTION

Released:
DOI: 10.2210/pdb1h11/pdb
PDB entry 1h11 coloured by chain, front view.
PDB entry 1h11 coloured by chain, side view.
PDB entry 1h11 coloured by chain, top view.
Source organism: Salipaludibacillus agaradhaerens
Primary publication:
Direct experimental observation of the hydrogen-bonding network of a glycosidase along its reaction coordinate revealed by atomic resolution analyses of endoglucanase Cel5A.
Varrot A, Davies GJ
Acta Crystallogr D Biol Crystallogr 59 447-52 (2003)
PMID: 12595701

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
Macromolecules (2 distinct):
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

Carbohydrate polymer : NEW Components: G2F, BGC
Carbohydrate polymer
2 bound ligands:
Ligand SO4 1 x SO4
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE BW7A
Spacegroup: P212121
Unit cell:
a: 54.447Å b: 69.88Å c: 77.322Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.109 0.108 0.125
Expression system: Bacillus subtilis

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Citations

1 review citation

Understanding nature's catalytic toolkit.
Gutteridge et al. (2005)
12 other articles

9 mentions without citation

Analysis of the conserved protective epitopes of hemagglutinin on influenza A viruses.
Jiao et al. (2023)
8 more