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Crystal structure of mouse galectin-9 N-terminal crd in complex with N-acetyllactosamine

Analyse Crystal structure of mouse galectin-9 N-terminal crd in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2D6N
Type
protein
Length
305 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lectin, galactose binding, soluble 9
Ligands
NAG, GAL
Pockets
3 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 2% helix, 55% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALectin, galactose binding, soluble 9protein1522% helix, 56% strand—
BLectin, galactose binding, soluble 9protein1532% helix, 54% strand—

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1560.690.9619empty
2540.270.7315empty
3530.260.7313empty

Interfaces

1 interface between chains.

  • A–B · 558 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 2D6N · Crystal structure of mouse galectin-9 N-terminal CRD in complex with N-acetyllactosamine · the same entry in another collection · chain A against A, TM-score 1.00

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