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Crystal structure of the P-REX1 pH domain with inositol-(1,3,4,5)- tetrakisphosphate bound

Analyse Crystal structure of the P-REX1 pH domain with inositol-(1,3,4,5)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5D3Y
Type
protein
Length
272 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphatidylinositol 3,4,5-trisphosphate-dependent rac exchanger 1 protein
UniProt
Q8TCU6
Ligands
4IP
Pockets
1 · best druggability 0.39

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPhosphatidylinositol 3,4,5-trisphosphate-dependent rac exchanger 1 proteinprotein13626% helix, 40% strandQ8TCU6

Ligands and binding sites

  • 4IP · Inositol-(1,3,4,5)-tetrakisphosphate · ligand · 2 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11050.390.7622empty

Interfaces

1 interface between chains.

  • A–B · 244 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 5D3Y · Crystal Structure of the P-Rex1 PH domain with Inositol-(1,3,4,5)-Tetrakisphosphate Bound · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8TCU6 · AlphaFold monomer V2.0 prediction for phosphatidylinositol 3,4,5-trisphosphate-dependent… · a predicted model of the same protein · chain A against A, TM-score 0.97

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