› 2wao

X-ray diffraction
1.8Å resolution

Structure of a family two carbohydrate esterase from Clostridium thermocellum in complex with cellohexaose

Released:
DOI: 10.2210/pdb2wao/pdb
PDB entry 2wao coloured by chain, front view.
PDB entry 2wao coloured by chain, side view.
PDB entry 2wao coloured by chain, top view.
Source organism: Acetivibrio thermocellus
Primary publication:
The active site of a carbohydrate esterase displays divergent catalytic and noncatalytic binding functions.
Montanier C, Money VA, Pires VM, Flint JE, Pinheiro BA, Goyal A, Prates JA, Izumi A, Stålbrand H, Morland C, Cartmell A, Kolenova K, Topakas E, Dodson EJ, Bolam DN, Davies GJ, Fontes CM, Gilbert HJ
PLoS Biol 7 e71 (2009)
PMID: 19338387

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Cellulase/esterase CelE Chain: A
Molecule details ›
Chain: A
Length: 341 amino acids
Theoretical weight: 37.7 KDa
Source organism: Acetivibrio thermocellus
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P10477 (Residues: 484-814; Coverage: 42%)
Gene names: Cthe_0797, celE
Sequence domains:
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: BGC
Carbohydrate polymer
1 bound ligand:
Ligand FMT 11 x FMT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF
Spacegroup: P21
Unit cell:
a: 41.634Å b: 60.082Å c: 69Å
α: 90° β: 78.02° γ: 90°
R-values:
R R work R free
0.146 0.144 0.191
Expression system: Escherichia coli BL21

Quick links

Citations

8 review citations

Cellulosomes: highly efficient nanomachines designed to deconstruct plant cell wall complex carbohydrates.
Fontes et al. (2010)
7 more

5 mentions without citation

The SGNH hydrolase family: a template for carbohydrate diversity.
Anderson et al. (2022)
4 more