GL1X · GenesisL1 explorer

MolNFT v1 · #72262 · protein

Erythrina corallodendron lectin mutant (Y106G) in complex with galactose

3N36: “Erythrina corallodendron lectin mutant (Y106G) in complex with galactose”. X-ray diffraction, 3 ligands (GLA, MN, CA), 1 pocket (best druggability 0.36). MolNFT v1 #72262 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3N36
Type
protein
Length
242 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lectin
UniProt
P16404
Ligands
GLA, MN, CA
Pockets
1 · best druggability 0.36

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALectinprotein2424% helix, 46% strandP16404

Ligands and binding sites

  • GLA · alpha-D-galactopyranose · sugar · chains A
  • MN · Manganese (II) ion · metal · chains A
  • CA · Calcium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1540.360.7916empty

Compared structures

  • 3N36 · Erythrina corallodendron lectin mutant (Y106G) in complex with Galactose · the same entry in another collection · chain A against A, TM-score 1.00
  • P16404 · AlphaFold monomer V2.0 prediction for lectin (P16404) · a predicted model of the same protein · chain A against A, TM-score 0.99

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