› 1oc7

X-ray diffraction
1.11Å resolution

D405N mutant of the CELLOBIOHYDROLASE CEL6A FROM HUMICOLA INSOLENS in complex with methyl-tetrathio-alpha-d-cellopentoside at 1.1 angstrom resolution

Released:
DOI: 10.2210/pdb1oc7/pdb
PDB entry 1oc7 coloured by chain, front view.
PDB entry 1oc7 coloured by chain, side view.
PDB entry 1oc7 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-573695 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Exoglucanase-6A Chain: A
Molecule details ›
Chain: A
Length: 364 amino acids
Theoretical weight: 40.18 KDa
Source organism: Humicola insolens
Expression system: Aspergillus oryzae
UniProt:
  • Canonical: Q9C1S9 (Residues: 113-476; 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, BGC
Ligand MA3 1 x MA3
Ligand SGC 3 x SGC
Ligand BGC 1 x BGC
5 bound ligands:
Ligand NAG 1 x NAG
Ligand MG 1 x MG
Ligand ACT 1 x ACT
Ligand DMF 2 x DMF
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE BW7B
Spacegroup: P212121
Unit cell:
a: 57.504Å b: 60.148Å c: 97.207Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.106 0.105 0.124
Expression system: Aspergillus oryzae

Quick links

Citations

7 review citations

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

4 mentions without citation

A generalized analysis of hydrophobic and loop clusters within globular protein sequences.
Eudes et al. (2007)
3 more