› 2wab

X-ray diffraction
1.9Å resolution

Structure of an active site mutant of a family two carbohydrate esterase from Clostridium thermocellum in complex with celluohexase

Released:
DOI: 10.2210/pdb2wab/pdb
PDB entry 2wab coloured by chain, front view.
PDB entry 2wab coloured by chain, side view.
PDB entry 2wab 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)
Assembly name:
PDBe Complex ID:
PDB-CPX-145315 (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: 37.68 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
2 bound ligands:
Ligand GOL 6 x GOL
Ligand IOD 6 x IOD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF
Spacegroup: P21212
Unit cell:
a: 41.158Å b: 141.235Å c: 58.161Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.158 0.156 0.203
Expression system: Escherichia coli BL21

Quick links

Citations

9 review citations

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

2 mentions without citation

A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis.
Glasgow et al. (2020)
1 more