› 3wlk

X-ray diffraction
1.8Å resolution

Crystal structure of barley beta-D-glucan glucohydrolase isoenzyme EXO1 in complex with 4-deoxy-glucose

Released:
DOI: 10.2210/pdb3wlk/pdb
PDB entry 3wlk coloured by chain, front view.
PDB entry 3wlk coloured by chain, side view.
PDB entry 3wlk coloured by chain, top view.
Source organism: Hordeum vulgare subsp. vulgare
Primary publication:
Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Streltsov VA, Luang S, Peisley A, Varghese JN, Ketudat Cairns JR, Fort S, Hijnen M, Tvaroška I, Ardá A, Jiménez-Barbero J, Alfonso-Prieto M, Rovira C, Mendoza F, Tiessler-Sala L, Sánchez-Aparicio JE, Rodríguez-Guerra J, Lluch JM, Maréchal JD, Masgrau L, Hrmova M
Nat Commun 10 2222 (2019)
PMID: 31110237

Function and Biology Details

Reaction catalysed: 
Hydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-195007 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (4 distinct):
beta-glucosidase Chain: X
Molecule details ›
Chain: X
Length: 605 amino acids
Theoretical weight: 65.48 KDa
Source organism: Hordeum vulgare subsp. vulgare
UniProt:
  • Canonical: Q9XEI3 (Residues: 26-630; Coverage: 100%)
Sequence domains:
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, BMA, XYP, FUL
Carbohydrate polymer
3 bound ligands:
Ligand BGC 1 x BGC
Ligand GOL 6 x GOL
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 14-ID-B
Spacegroup: P43212
Unit cell:
a: 100.564Å b: 100.564Å c: 181.758Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.151 0.15 0.174

Quick links

Citations

2 review citations

Research progress and the biotechnological applications of multienzyme complex.
Jiang et al. (2021)
1 more

1 mention without citation

Enzymes in 3D: Synthesis, remodelling, and hydrolysis of cell wall (1,3;1,4)-β-glucans.
Hrmova et al. (2023)