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MolNFT v1 · #10530 · protein

Fucose-specific lectin from aleuria aurantia with three ligands

1IUC: “Fucose-specific lectin from aleuria aurantia with three ligands”. X-ray diffraction, 3 ligands (FUL, FUC, SO4), 2 pockets (best druggability 0.77). MolNFT v1 #10530 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1IUC
Type
protein
Length
312 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fucose-specific lectin
UniProt
P18891
Ligands
FUL, FUC, SO4
Pockets
2 · best druggability 0.77

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AFucose-specific lectinprotein3122% helix, 54% strandP18891

Ligands and binding sites

  • FUL · beta-L-fucopyranose · sugar · 2 copies · chains A
  • FUC · alpha-L-fucopyranose · sugar · chains A
  • SO4 · Sulfate ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15650.770.8466empty
2650.310.7419FUL

Compared structures

  • 1IUC · Fucose-specific lectin from Aleuria aurantia with three ligands · the same entry in another collection · chain A against A, TM-score 1.00
  • P18891 · AlphaFold monomer V2.0 prediction for fucose-specific lectin (P18891) · a predicted model of the same protein · chain A against A, TM-score 1.00

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