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Crystal structure of the chicken MDGA1 ectodomain

Analyse Crystal structure of the chicken MDGA1 ectodomain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5OJ2
Type
protein
Length
1,383 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mam domain-containing glycosylphosphatidylinositol anchor protein 1
UniProt
Q0WYX8
Ligands
NAG, BMA, MAN
Pockets
12 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 3% helix, 54% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMam domain-containing glycosylphosphatidylinositol anchor protein 1protein6913% helix, 54% strandQ0WYX8
BMam domain-containing glycosylphosphatidylinositol anchor protein 1protein6923% helix, 54% strandQ0WYX8

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 19 copies · chains A, B
  • BMA · beta-D-mannopyranose · sugar · 2 copies
  • MAN · alpha-D-mannopyranose · sugar

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

Pockets

12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16920.640.7455empty
22420.610.8139empty
33640.580.7634empty
41820.580.8130empty
54240.570.7449empty

Interfaces

1 interface between chains.

  • A–B · 2835 Ų buried · 46 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 22 modified, 17 glycan, 14 disulfide (engineered, N-glycosylation, disulfide).

Compared structures

  • 5OJ2 · Crystal structure of the chicken MDGA1 ectodomain · the same entry in another collection · chain A against A, TM-score 1.00
  • Q0WYX8 · AlphaFold monomer V2.0 prediction for mam domain-containing glycosylphosphatidylinositol… · a predicted model of the same protein · chain B against A, TM-score 0.99

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