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Protease-resistant mutant form of human galectin-8 in complex with two lactose molecules

Analyse Protease-resistant mutant form of human galectin-8 in complex with two lactose… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3VKL
Type
protein
Length
578 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Galectin-8
UniProt
O00214
Ligands
BGC, GAL
Pockets
1 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 2% helix, 54% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGalectin-8protein2892% helix, 54% strandO00214

Ligands and binding sites

  • BGC · beta-D-glucopyranose · sugar · 4 copies · chains A, B
  • GAL · beta-D-galactopyranose · sugar · 4 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 20 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17520.790.83110EDO

Interfaces

1 interface between chains.

  • A–B · 983 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 3VKL · Protease-resistant mutant form of human Galectin-8 in complex with two lactose molecules · 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 0.55

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