› 2f1b

X-ray diffraction
1.45Å resolution

GOLGI ALPHA-MANNOSIDASE II COMPLEX WITH (2R,3R,4S,5R)-2-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-5-methylpyrrolidine-3,4-diol

Released:
DOI: 10.2210/pdb2f1b/pdb
PDB entry 2f1b coloured by chain, front view.
PDB entry 2f1b coloured by chain, side view.
PDB entry 2f1b coloured by chain, top view.
Source organism: Drosophila melanogaster
Primary publication:
Evaluation of docking programs for predicting binding of Golgi alpha-mannosidase II inhibitors: a comparison with crystallography.
Englebienne P, Fiaux H, Kuntz DA, Corbeil CR, Gerber-Lemaire S, Rose DR, Moitessier N
Proteins 69 160-76 (2007)
PMID: 17557336

Function and Biology Details

Reaction catalysed: 
Man(5)GlcNAc(3)-[protein] + 2 H(2)O = Man(3)GlcNAc(3)-[protein] + 2 alpha-D-mannopyranose
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-173193 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:

Ligands and Environments

4 bound ligands:
Ligand NAG 1 x NAG
Ligand ZN 1 x ZN
Ligand GB3 1 x GB3
Ligand MPD 1 x MPD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE A1
Spacegroup: P212121
Unit cell:
a: 69.433Å b: 110.578Å c: 139.89Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.017 0.173 0.194
Expression system: Drosophila melanogaster

Quick links

Citations

1 review citation

Theoretical prediction of drug-receptor interactions.
Frecer V. (2011)
19 other articles

1 mention without citation

Structure based virtual screening of natural product molecules as glycosidase inhibitors.
Moorthy et al. (2021)