› 6jgg

X-ray diffraction
1.9Å resolution

Crystal structure of barley exohydrolaseI W434F mutant in complex with methyl 2-thio-beta-sophoroside.

Released:
DOI: 10.2210/pdb6jgg/pdb
PDB entry 6jgg coloured by chain, front view.
PDB entry 6jgg coloured by chain, side view.
PDB entry 6jgg coloured by chain, top view.
Source organism: Hordeum vulgare subsp. vulgare
Primary publication:
The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Luang S, Fernández-Luengo X, Nin-Hill A, Streltsov VA, Schwerdt JG, Alonso-Gil S, Ketudat Cairns JR, Pradeau S, Fort S, Maréchal JD, Masgrau L, Rovira C, Hrmova M
Nat Commun 13 5577 (2022)
PMID: 36151080

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 (2 distinct):
beta-glucosidase Chain: A
Molecule details ›
Chain: A
Length: 609 amino acids
Theoretical weight: 65.86 KDa
Source organism: Hordeum vulgare subsp. vulgare
Expression system: Komagataella pastoris
UniProt:
  • Canonical: Q9XEI3 (Residues: 26-630; Coverage: 100%)
Sequence domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: U2A, BGC
Ligand U2A 1 x U2A
Ligand BGC 1 x BGC
5 bound ligands:
Ligand NAG 1 x NAG
Ligand GOL 5 x GOL
Ligand ACT 9 x ACT
Ligand SO4 3 x SO4
Ligand 1PE 17 x 1PE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P43212
Unit cell:
a: 100.72Å b: 100.72Å c: 180.833Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.163 0.161 0.202
Expression system: Komagataella pastoris

Quick links

Citations

2 citation in other articles

The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Luang et al. (2022)
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)