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MolNFT v1 · #178598 · protein

Dimeric immunoglobin a (diga)

7JG1 · Igh protein: “Dimeric immunoglobin a (diga)”. Electron microscopy, 1 ligand (NAG), 9 pockets (best druggability 0.76). MolNFT v1 #178598 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7JG1
Type
protein
Length
1,045 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Igh protein; Immunoglobulin J chain
UniProt
Q99M22, P01592
Ligands
NAG
Pockets
9 · best druggability 0.76

Structure

electron microscopy · 4 distinct chains · 9% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CIgh proteinprotein2319% helix, 42% strandQ99M22
BIgh proteinprotein2249% helix, 46% strandQ99M22
DIgh proteinprotein22811% helix, 43% strandQ99M22
JImmunoglobulin J chainprotein1313% helix, 47% strandP01592

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains J, A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17560.760.8168empty
27910.760.8069empty
3940.500.8217empty
41000.460.8021empty
51380.450.7622empty

Interfaces

10 interfaces between chains.

  • C–D · 2035 Ų buried · 21 hydrogen bonds · protein-protein
  • C–J · 1949 Ų buried · 27 hydrogen bonds · protein-protein
  • A–J · 1896 Ų buried · 21 hydrogen bonds · protein-protein
  • A–B · 1786 Ų buried · 14 hydrogen bonds · protein-protein
  • A–C · 489 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 19 disulfide, 4 glycan (disulfide, N-glycosylation, O-glycosylation).

Compared structures

  • 7JG1 · Dimeric Immunoglobin A (dIgA) · the same entry in another collection · chain A against A, TM-score 1.00
  • P01592 · AlphaFold monomer V2.0 prediction for immunoglobulin J chain (P01592) · a predicted model of the same protein · chain J against A, TM-score 0.93

Analyse

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