› 1ocj

X-ray diffraction
1.3Å resolution

Mutant D416A of the CELLOBIOHYDROLASE CEL6A FROM HUMICOLA INSOLENS in complex with a THIOPENTASACCHARIDE at 1.3 angstrom resolution

Released:
DOI: 10.2210/pdb1ocj/pdb
PDB entry 1ocj coloured by chain, front view.
PDB entry 1ocj coloured by chain, side view.
PDB entry 1ocj coloured by chain, top view.
Source organism: Humicola insolens
Primary publication:
Structural basis for ligand binding and processivity in cellobiohydrolase Cel6A from Humicola insolens.
Varrot A, Frandsen TP, von Ossowski I, Boyer V, Cottaz S, Driguez H, Schülein M, Davies GJ
Structure 11 855-64 (2003)
PMID: 12842048

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-189902 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Exoglucanase-6A Chain: A
Molecule details ›
Chain: A
Length: 362 amino acids
Theoretical weight: 39.97 KDa
Source organism: Humicola insolens
Expression system: Aspergillus oryzae
UniProt:
  • Canonical: Q9C1S9 (Residues: 115-476; Coverage: 79%)
Gene names: avi2, cel6A
Sequence domains: Glycosyl hydrolases family 6
Structure domains: 1, 4-beta cellobiohydrolase

Ligands and Environments

Carbohydrate polymer : NEW Components: MA3, SGC, SSG, BGC
Ligand MA3 1 x MA3
Ligand SGC 1 x SGC
Ligand SSG 2 x SSG
Ligand BGC 1 x BGC
3 bound ligands:
Ligand NAG 1 x NAG
Ligand MG 1 x MG
Ligand ACY 1 x ACY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P21
Unit cell:
a: 47.44Å b: 67.552Å c: 53.663Å
α: 90° β: 110.87° γ: 90°
R-values:
R R work R free
0.146 0.145 0.174
Expression system: Aspergillus oryzae

Quick links

Citations

7 review citations

Mechanistic insights into glycosidase chemistry.
Vocadlo et al. (2008)
6 more

1 mention without citation

Crystal structure of a family 6 cellobiohydrolase from the basidiomycete Phanerochaete chrysosporium.
Tachioka et al. (2017)