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Phosphatidylinositol 4-kinase III beta crystallized with ATP

Analyse Phosphatidylinositol 4-kinase III beta crystallized with ATP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4WAE
Type
protein
Length
463 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphatidylinositol 4-kinase BETA,PHOSPHATIDYLINOSITOL 4- kinase beta
EC
2.7.1.67
UniProt
Q9UBF8
Ligands
ATP
Pockets
5 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphatidylinositol 4-kinase BETA,PHOSPHATIDYLINOSITOL 4- kinase beta (EC 2.7.1.67)protein46349% helix, 8% strandQ9UBF8

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14560.690.8044empty
24300.620.7651ATP
31560.470.7620empty
4870.360.7517empty
5770.300.7316empty

Compared structures

  • 4WAE · Phosphatidylinositol 4-kinase III beta crystallized with ATP · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UBF8 · AlphaFold monomer V2.0 prediction for phosphatidylinositol 4-kinase beta (Q9UBF8) · a predicted model of the same protein · chain A against A, TM-score 0.98

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