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PI3KC2A core in complex with PITCOIN3

Analyse PI3KC2A core in complex with PITCOIN3 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7Z75
Type
protein
Length
827 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphatidylinositol 4-phosphate 3-kinase C2 domain- containing subunit alpha
EC
2.7.1.137, 2.7.1.153, 2.7.1.154
UniProt
Q61194
Ligands
IG3, SO4
Pockets
7 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphatidylinositol 4-phosphate 3-kinase C2 domain- containing subunit alpha (EC 2.7.1.137, 2.7.1.153, 2.7.1.154)protein82742% helix, 20% strandQ61194

Ligands and binding sites

  • IG3 · ~{N}-[4-[3-(methylsulfonylamino)phenyl]-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide · ligand · chains A
  • SO4 · Sulfate ion · ion · chains A
  • EDO · 1,2-ethanediol · additive · chains A

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

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111290.840.85128EDO
211650.800.81100empty
32430.600.7931IG3
41770.490.7724empty
5720.450.8115empty

Compared structures

  • 7Z75 · PI3KC2a core in complex with PITCOIN3 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q61194 · AlphaFold monomer V2.0 prediction for phosphatidylinositol 4-phosphate 3-kinase C2… · a predicted model of the same protein · chain A against A, TM-score 0.97

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