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MolNFT v1 · #139557 · protein

Crystal structure of fucosylated IgG Fc Y296W mutant complexed with bis-glycosylated soluble form of Fc gamma receptor iiia

5XJF · Immunoglobulin gamma-1 heavy chain: “Crystal structure of fucosylated IgG Fc Y296W mutant complexed with bis-glycosylated soluble form of Fc gamma…”. X-ray diffraction, 6 ligands (NAG, MAN, BMA), 4 pockets (best druggability 0.46).…

PDB
5XJF
Type
protein
Length
579 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Immunoglobulin gamma-1 heavy chain; Low affinity immunoglobulin gamma Fc region receptor…
UniProt
P0DOX5, P08637
Ligands
NAG, MAN, BMA, GAL, FUC, CL
Pockets
4 · best druggability 0.46

Structure

x-ray diffraction · 2 distinct chains · 9% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BImmunoglobulin gamma-1 heavy chainprotein21511% helix, 46% strandP0DOX5
CLow affinity immunoglobulin gamma Fc region receptor III-aprotein1496% helix, 51% strandP08637

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 12 copies · chains A, C, B
  • MAN · alpha-D-mannopyranose · sugar · 5 copies · chains A, B
  • BMA · beta-D-mannopyranose · sugar · 3 copies · chains A, B
  • GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B
  • FUC · alpha-L-fucopyranose · sugar · 2 copies · chains A, B
  • CL · Chloride ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11620.460.7630empty
2790.330.7516empty
3920.320.7219empty
4790.300.7223empty

Interfaces

3 interfaces between chains.

  • A–B · 1172 Ų buried · 8 hydrogen bonds · protein-protein
  • A–C · 579 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 401 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide, 4 glycan (disulfide, N-glycosylation).

Compared structures

  • 5XJF · Crystal structure of fucosylated IgG Fc Y296W mutant complexed with bis-glycosylated… · 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 0.98

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