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MolNFT v1 · #86959 · protein

Crystal structure of the N terminal domain of human galectin 8, F19Y mutant

4BME · Galectin-8: “Crystal structure of the N terminal domain of human galectin 8, F19Y mutant”. X-ray diffraction, 2 ligands (GLC, GAL), 2 pockets (best druggability 0.46). MolNFT v1 #86959 on GenesisL1: 3D structure, binding sites and…

PDB
4BME
Type
protein
Length
293 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Galectin-8
UniProt
O00214
Ligands
GLC, GAL
Pockets
2 · best druggability 0.46

Structure

x-ray diffraction · 2 distinct chains · 2% helix, 57% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGalectin-8protein1472% helix, 55% strandO00214
BGalectin-8protein1462% helix, 60% strandO00214

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A, B
  • GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11650.460.7628empty
2810.340.7520empty

Interfaces

1 interface between chains.

  • A–B · 584 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 4BME · Crystal structure of the N terminal domain of human Galectin 8, F19Y mutant · 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 B against A, TM-score 0.99

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