› 3cel

X-ray diffraction
2Å resolution

ACTIVE-SITE MUTANT E212Q DETERMINED AT PH 6.0 WITH CELLOBIOSE BOUND IN THE ACTIVE SITE

Released:
DOI: 10.2210/pdb3cel/pdb
PDB entry 3cel coloured by chain, front view.
PDB entry 3cel coloured by chain, side view.
PDB entry 3cel coloured by chain, top view.
Source organism: Trichoderma reesei
Primary publication:
Activity studies and crystal structures of catalytically deficient mutants of cellobiohydrolase I from Trichoderma reesei.
Ståhlberg J, Divne C, Koivula A, Piens K, Claeyssens M, Teeri TT, Jones TA
J Mol Biol 264 337-49 (1996)
PMID: 8951380

Function and Biology Details

Reaction catalysed: 
Hydrolysis of (1->4)-beta-D-glucosidic linkages in cellulose and cellotetraose, releasing cellobiose from the non-reducing ends of the chains
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-158661 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Exoglucanase 1 Chain: A
Molecule details ›
Chain: A
Length: 434 amino acids
Theoretical weight: 46.07 KDa
Source organism: Trichoderma reesei
Expression system: Trichoderma reesei
UniProt:
  • Canonical: P62694 (Residues: 18-451; Coverage: 88%)
Gene name: cbh1
Sequence domains: Glycosyl hydrolase family 7
Structure domains: Glycoside hydrolase, family 7, domain

Ligands and Environments

Carbohydrate polymer : NEW Components: BGC
Carbohydrate polymer
2 bound ligands:
Ligand NAG 1 x NAG
Ligand CD 5 x CD
1 modified residue:
Ligand PCA 1 x PCA

Experiments and Validation Details

Entry percentile scores
Spacegroup: I222
Unit cell:
a: 84Å b: 84.1Å c: 111.5Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.2 0.256
Expression system: Trichoderma reesei

Quick links

Citations

8 review citations

Structural and sequence-based classification of glycoside hydrolases.
Henrissat et al. (1997)
7 more

4 mentions without citation

Structural, biochemical, and computational characterization of the glycoside hydrolase family 7 cellobiohydrolase of the tree-killing fungus Heterobasidion irregulare.
Momeni et al. (2013)
3 more