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EEA1 homodimer of C-terminal fyve domain bound to inositol 1,3-diphosphate

Analyse EEA1 homodimer of C-terminal fyve domain bound to inositol 1,3-diphosphate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1JOC
Type
protein
Length
246 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Early endosomal autoantigen 1
UniProt
Q15075
Ligands
ITP, ZN
Pockets
1 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 56% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BEarly endosomal autoantigen 1protein12356% helix, 10% strandQ15075

Ligands and binding sites

  • ITP · Phosphoric acid mono-(2,3,4,6-tetrahydroxy-5-phosphonooxy-cyclohexyl) ester · ligand · 2 copies · chains A, B
  • ZN · Zinc ion · metal · 4 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12770.690.8430empty

Interfaces

1 interface between chains.

  • A–B · 2149 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 1JOC · EEA1 homodimer of C-terminal FYVE domain bound to inositol 1,3-diphosphate · the same entry in another collection · chain A against A, TM-score 1.00
  • Q15075 · AlphaFold monomer V2.0 prediction for early endosome antigen 1 (Q15075) · a predicted model of the same protein · chain B against A, TM-score 0.69

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