› 3aiw

X-ray diffraction
2.4Å resolution

Crystal structure of beta-glucosidase in rye complexed with 2-deoxy-2-fluoroglucoside and dinitrophenol

Released:
DOI: 10.2210/pdb3aiw/pdb
PDB entry 3aiw coloured by chain, front view.
PDB entry 3aiw coloured by chain, side view.
PDB entry 3aiw coloured by chain, top view.
Source organism: Secale cereale
Primary publication:
Active-site architecture of benzoxazinone-glucoside β-D-glucosidases in Triticeae.
Sue M, Nakamura C, Miyamoto T, Yajima S
Plant Sci 180 268-75 (2011)
PMID: 21421370

Function and Biology Details

Reactions catalysed: 
(2R)-4-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside + H(2)O = 2,4-dihydroxy-2H-1,4-benzoxazin-3(4H)-one + D-glucose
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

Assemblies composition:
homo hexamer
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-190385 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase, chloroplastic Chain: A
Molecule details ›
Chain: A
Length: 564 amino acids
Theoretical weight: 63.97 KDa
Source organism: Secale cereale
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9FYS3 (Residues: 50-568; Coverage: 91%)
Sequence domains: Glycosyl hydrolase family 1
Structure domains: Glycosidases

Ligands and Environments

2 bound ligands:
Ligand DNF 1 x DNF
Ligand G2F 1 x G2F
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE BL-6A
Spacegroup: P4132
Unit cell:
a: 194.686Å b: 194.686Å c: 194.686Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.187 0.186 0.212
Expression system: Escherichia coli

Quick links

Citations

4 citation in other articles

Co-ordinate regulation of cytokinin gene family members during flag leaf and reproductive development in wheat.
Song et al. (2012)
3 more

1 mention without citation

Biochemical and structural characterization of a thermostable β-glucosidase from Halothermothrix orenii for galacto-oligosaccharide synthesis.
Hassan et al. (2015)