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Unique CARBOHYDRATE/CARBOHYDRATE interactions are required for high affinity binding of fcgiii and antibodies lacking core fucose

Analyse Unique CARBOHYDRATE/CARBOHYDRATE interactions are required for high affinity… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3SGK
Type
protein
Length
586 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fc fragment; Human FCG3A receptor
UniProt
P01857, P08637
Ligands
NAG, MAN, BMA
Pockets
2 · best druggability 0.29

Structure

x-ray diffraction · 3 distinct chains · 9% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFc fragmentprotein20911% helix, 47% strandP01857
BFc fragmentprotein2129% helix, 46% strandP01857
CHuman FCG3A receptorprotein1655% helix, 55% strandP08637

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 14 copies · chains A, C, B
  • MAN · alpha-D-mannopyranose · sugar · 9 copies · chains A, B, C
  • BMA · beta-D-mannopyranose · sugar · 3 copies · chains A, B
  • MLI · Malonate ion · additive · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1600.290.7516empty
2640.280.7319empty

Interfaces

3 interfaces between chains.

  • A–B · 1200 Ų buried · 7 hydrogen bonds · protein-protein
  • A–C · 506 Ų buried · 4 hydrogen bonds · protein-protein
  • B–C · 393 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide, 5 glycan (disulfide, N-glycosylation, glycosylation).

Compared structures

  • 3SGK · Unique carbohydrate/carbohydrate interactions are required for high affinity binding of… · the same entry in another collection · chain A against A, TM-score 1.00
  • P08637 · AlphaFold monomer V2.0 prediction for low affinity immunoglobulin gamma Fc region… · a predicted model of the same protein · chain C against A, TM-score 0.95

Analyse

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