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Crystal structure of the galectin-8 N-terminal carbohydrate recognition domain in complex with iodide

Analyse Crystal structure of the galectin-8 N-terminal carbohydrate recognition domain… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3APB
Type
protein
Length
304 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Galectin-8
UniProt
O00214
Ligands
IOD
Pockets
3 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 2% helix, 53% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGalectin-8protein1522% helix, 53% strandO00214

Ligands and binding sites

  • IOD · Iodide ion · ion · 29 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16170.760.8263IOD
21060.450.7922IOD
3780.350.7614empty

Interfaces

1 interface between chains.

  • A–B · 871 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 3APB · Crystal structure of the galectin-8 N-terminal carbohydrate recognition domain in complex… · the same entry in another collection · chain A against A, TM-score 1.00
  • O00214 · AlphaFold monomer V2.0 prediction for galectin-8 (O00214) · a predicted model of the same protein · chain A against A, TM-score 0.98

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