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GOLGI MANNOSIDASE II complex with (3R,4R,5R)-3,4-Dihydroxy-5-({[(1R)-2-hydroxy-1 phenylethyl]amino}methyl) methylpyrrolidin-2-one

Analyse GOLGI MANNOSIDASE II complex with (3R,4R,5R)-3,4-Dihydroxy-5-({[(1R)-2-hydroxy-1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3DDG
Type
protein
Length
1,015 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.74
Source
Drosophila melanogaster
Molecule
alpha-mannosidase 2
EC
3.2.1.114
UniProt
Q24451
Ligands
GB7, NAG, ZN, PO4
Pockets
12 · best druggability 0.80

Structure

x-ray diffraction · resolution 1.74 · 1 distinct chain · 24% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
Aalpha-mannosidase 2 (EC 3.2.1.114)protein101524% helix, 30% strandQ24451

Ligands and binding sites

  • GB7 · (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-1-methylpyrrolidin-2-one · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
  • ZN · Zinc ion · metal · chains A
  • PO4 · Phosphate ion · ion · chains A
  • MRD · (4R)-2-methylpentane-2,4-diol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11320.800.9730empty
23300.750.8751empty
36080.730.8092PO4
42760.650.8229empty
52270.520.7632GB7

Modifications

Observed in the structure: 5 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

  • 3DDG · Golgi mannosidase II complex with (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)- 2-hydroxy-1… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q24451 · AlphaFold monomer V2.0 prediction for alpha-mannosidase 2 (Q24451) · a predicted model of the same protein · chain A against A, TM-score 1.00

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