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MolNFT v1 · #56511 · protein

Crystal structure of human galectin-9 N-terminal crd in complex with N-acetyllactosamine dimer (crystal 1)

2ZHK: “Crystal structure of human galectin-9 N-terminal crd in complex with N-acetyllactosamine dimer (crystal 1)”. X-ray diffraction, 2 ligands (NAG, GAL), 1 pocket (best druggability 0.49). MolNFT v1 #56511 on GenesisL1: 3D structure…

PDB
2ZHK
Type
protein
Length
283 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Galectin-9
UniProt
O00182
Ligands
NAG, GAL
Pockets
1 · best druggability 0.49

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AGalectin-9protein1412% helix, 54% strandO00182
BGalectin-9protein1422% helix, 54% strandO00182

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
  • GAL · beta-D-galactopyranose · sugar · 4 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
12380.490.7538empty

Interfaces

1 interface between chains.

  • A–B · 237 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 2ZHK · Crystal structure of human galectin-9 N-terminal CRD in complex with N-acetyllactosamine… · the same entry in another collection · chain A against A, TM-score 1.00
  • O00182 · AlphaFold monomer V2.0 prediction for galectin-9 (O00182) · a predicted model of the same protein · chain B against A, TM-score 1.00

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