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MolNFT v1 · #50258 · protein

Structure of a human P110ALPHA/P85ALPHA complex

2RD0 · Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic…: “Structure of a human P110ALPHA/P85ALPHA complex”. X-ray diffraction, 14 pockets (best druggability 0.87). MolNFT v1 #50258 on GenesisL1: 3D structure, binding sites and…

PDB
2RD0
Type
protein
Length
1,136 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform…
EC
2.7.1.153
UniProt
P42336, P27986
Pockets
14 · best druggability 0.87

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (EC 2.7.1.153)protein99738% helix, 16% strandP42336
BPhosphatidylinositol 3-kinase regulatory subunit alphaprotein13974% helix, 0% strandP27986

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111030.870.8897empty
210480.850.86121empty
35540.780.8456empty
43330.620.7828empty
51330.570.8325empty

Interfaces

1 interface between chains.

  • A–B · 1875 Ų buried · 21 hydrogen bonds · protein-protein

Compared structures

  • 2RD0 · Structure of a human p110alpha/p85alpha complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P42336 · AlphaFold monomer V2.0 prediction for phosphatidylinositol 4,5-bisphosphate 3-kinase… · a predicted model of the same protein · chain A against A, TM-score 0.97

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