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MolNFT v1 · #82132 · protein

Crystal structure of human AIM2 pyd domain with mbp fusion

3VD8 · Maltose-binding periplasmic protein, interferon-inducible…: “Crystal structure of human AIM2 pyd domain with mbp fusion”. X-ray diffraction, 2 ligands (GLC, K), 4 pockets (best druggability 0.71). MolNFT v1 #82132 on GenesisL1: 3D…

PDB
3VD8
Type
protein
Length
467 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Maltose-binding periplasmic protein, interferon-inducible protein AIM2
UniProt
P0AEY0, O14862
Ligands
GLC, K
Pockets
4 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMaltose-binding periplasmic protein, interferon-inducible protein AIM2protein46750% helix, 16% strandP0AEY0, O14862

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A
  • K · Potassium ion · metal · 4 copies · chains A
  • EDO · 1,2-ethanediol · additive · 4 copies · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13850.710.8333GLC
22230.480.7436K
31080.450.7916empty
4600.400.8016empty

Compared structures

  • 3VD8 · Crystal structure of human AIM2 PYD domain with MBP fusion · the same entry in another collection · chain A against A, TM-score 1.00
  • O14862 · AlphaFold monomer V2.0 prediction for interferon-inducible protein AIM2 (O14862) · a predicted model of the same protein · chain A against A, TM-score 0.20

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