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Crystal structure of agrocybe cylindracea galectin with lactose

Analyse Crystal structure of agrocybe cylindracea galectin with lactose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3WG1
Type
protein
Length
320 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Galactoside-binding lectin
Ligands
BGC, GAL
Pockets
1 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 54% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGalactoside-binding lectinprotein1603% helix, 54% strand—

Ligands and binding sites

  • BGC · beta-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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11710.530.7930empty

Interfaces

1 interface between chains.

  • A–B · 1099 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 3WG1 · Crystal structure of Agrocybe cylindracea galectin with lactose · the same entry in another collection · chain A against A, TM-score 1.00

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