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MolNFT v1 · #7168 · protein

Crystal structure of erythrina corallodendron lectin in hexagonal crystal form

1FYU: “Crystal structure of erythrina corallodendron lectin in hexagonal crystal form”. X-ray diffraction, 4 ligands (GLC, GAL, MN), 1 pocket (best druggability 0.31). MolNFT v1 #7168 on GenesisL1: 3D structure, binding sites and pockets…

PDB
1FYU
Type
protein
Length
478 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lectin
UniProt
P16404
Ligands
GLC, GAL, MN, CA
Pockets
1 · best druggability 0.31

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BLectinprotein2394% helix, 46% strandP16404

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A, B
  • GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B
  • MN · Manganese (II) ion · metal · 2 copies · chains A, B
  • CA · Calcium ion · metal · 2 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1520.310.7715empty

Interfaces

1 interface between chains.

  • A–B · 846 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 1FYU · Crystal structure of erythrina corallodendron lectin in hexagonal crystal form · the same entry in another collection · chain B against B, 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 1.00

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