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MolNFT v1 · #191381 · protein

Structure of glycosylated lag-3 homodimer

8DGG · Lymphocyte activation gene 3 protein: “Structure of glycosylated lag-3 homodimer”. X-ray diffraction, 2 ligands (NAG, FUC), 8 pockets (best druggability 0.52). MolNFT v1 #191381 on GenesisL1: 3D structure, binding sites and pockets…

PDB
8DGG
Type
protein
Length
631 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lymphocyte activation gene 3 protein
UniProt
Q61790
Ligands
NAG, FUC
Pockets
8 · best druggability 0.52

Structure

x-ray diffraction · 2 distinct chains · 3% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALymphocyte activation gene 3 proteinprotein3541% helix, 42% strandQ61790
BLymphocyte activation gene 3 proteinprotein2775% helix, 31% strandQ61790

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 12 copies · chains A, B
  • FUC · alpha-L-fucopyranose · sugar · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11000.520.8226empty
21400.470.7722empty
31070.420.7723empty
4910.360.7523empty
5600.360.7816empty

Interfaces

1 interface between chains.

  • A–B · 670 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide, 7 glycan (disulfide, N-glycosylation).

Compared structures

  • 8DGG · Structure of glycosylated LAG-3 homodimer · the same entry in another collection · chain A against A, TM-score 1.00
  • Q61790 · AlphaFold monomer V2.0 prediction for lymphocyte activation gene 3 protein (Q61790) · a predicted model of the same protein · chain B against A, TM-score 0.72

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