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Crystal structure of a glycosylated Fab from an IgM cryoglobulin with properties of a natural proteolytic antibody

Analyse Crystal structure of a glycosylated Fab from an IgM cryoglobulin with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2AGJ
Type
protein
Length
441 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Yvo Fab, light chain; Yvo Fab, heavy chain
UniProt
Q6PJF2, P01871
Ligands
NAG
Pockets
4 · best druggability 0.52

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
LYvo Fab, light chainprotein2157% helix, 50% strandQ6PJF2
HYvo Fab, heavy chainprotein2266% helix, 42% strandP01871

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains H

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12920.520.7440empty
2930.340.7419empty
3800.330.7419empty
4560.300.7515empty

Interfaces

1 interface between chains.

  • L–H · 1972 Ų buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide, 1 glycan, 1 modified (disulfide, N-glycosylation, cyclization).

Compared structures

  • 2AGJ · Crystal Structure of a glycosylated Fab from an IgM cryoglobulin with properties of a… · the same entry in another collection · chain L against L, TM-score 1.00
  • P01871 · AlphaFold monomer V2.0 prediction for immunoglobulin heavy constant mu (P01871) · a predicted model of the same protein · chain H against A, TM-score 0.48

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