› 1e55

X-ray diffraction
2Å resolution

Crystal structure of the inactive mutant Monocot (Maize ZMGlu1) beta-glucosidase ZMGluE191D in complex with the competitive inhibitor dhurrin

Released:
DOI: 10.2210/pdb1e55/pdb
PDB entry 1e55 coloured by chain, front view.
PDB entry 1e55 coloured by chain, side view.
PDB entry 1e55 coloured by chain, top view.
Source organism: Zea mays
Primary publication:
The mechanism of substrate (aglycone) specificity in beta -glucosidases is revealed by crystal structures of mutant maize beta -glucosidase-DIMBOA, -DIMBOAGlc, and -dhurrin complexes.
Czjzek M, Cicek M, Zamboni V, Bevan DR, Henrissat B, Esen A
Proc Natl Acad Sci U S A 97 13555-60 (2000)
PMID: 11106394

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 domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155899 (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 1, chloroplastic Chains: A, B
Molecule details ›
Chains: A, B
Length: 512 amino acids
Theoretical weight: 58.46 KDa
Source organism: Zea mays
Expression system: Escherichia coli
UniProt:
  • Canonical: P49235 (Residues: 55-566; Coverage: 91%)
Gene name: GLU1
Sequence domains: Glycosyl hydrolase family 1
Structure domains: Glycosidases

Ligands and Environments

2 bound ligands:
Ligand BGC 2 x BGC
Ligand DHR 2 x DHR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P212121
Unit cell:
a: 91.8Å b: 95Å c: 117.5Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.196 0.235
Expression system: Escherichia coli

Quick links

Citations

10 review citations

beta-Glucosidases as detonators of plant chemical defense.
Morant et al. (2008)
9 more

2 mentions without citation

The mechanism of substrate (aglycone) specificity in beta -glucosidases is revealed by crystal structures of mutant maize beta -glucosidase-DIMBOA, -DIMBOAGlc, and -dhurrin complexes.
Czjzek et al. (2000)
1 more