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MolNFT v1 · #179789 · protein

Recombinant beta-2-glycoprotein I antibody recognition loop mutant

7KG4 · Beta-2-glycoprotein 1: “Recombinant beta-2-glycoprotein I antibody recognition loop mutant”. X-ray diffraction, 3 ligands (NAG, FUC, MAN), 2 pockets (best druggability 0.54). MolNFT v1 #179789 on GenesisL1: 3D structure, binding…

PDB
7KG4
Type
protein
Length
652 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-2-glycoprotein 1
UniProt
P02749
Ligands
NAG, FUC, MAN
Pockets
2 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 1% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BBeta-2-glycoprotein 1protein3261% helix, 40% strandP02749

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 11 copies · chains A, B
  • FUC · alpha-L-fucopyranose · sugar · 3 copies · chains A
  • MAN · alpha-D-mannopyranose · sugar · 2 copies

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11600.540.8023empty
21000.480.8122empty

Modifications

Observed in the structure: 22 disulfide, 7 glycan (disulfide, N-glycosylation).

Compared structures

  • 7KG4 · Recombinant Beta-2-Glycoprotein I antibody recognition loop mutant · the same entry in another collection · chain A against A, TM-score 1.00
  • P02749 · AlphaFold monomer V2.0 prediction for beta-2-glycoprotein 1 (P02749) · a predicted model of the same protein · chain A against A, TM-score 0.94

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