GL1X · GenesisL1 explorer

MolNFT v1 · #160935 · protein

Human PI3KDELTA in complex with compound 2-10 ((3S)-3-benzyl-3-methyl- 5-[5-(2-methylpyrimidin-5-YL)PYRAZOLO[1,5-A]PYRIMIDIN-3-yl]-1,3- dihydro-2H-indol-2-one)

6PYR: “Human PI3KDELTA in complex with compound 2-10 ((3S)-3-benzyl-3-methyl…”. X-ray diffraction, 1 ligand (P5J). MolNFT v1 #160935 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6PYR
Type
protein
Length
1,096 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
O00329, P27986
Ligands
P5J

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein933—O00329
B—protein163—P27986

Ligands and binding sites

  • P5J · (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl) pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one · ligand · chains A

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

Compared structures

  • 6PYR · Human PI3Kdelta in complex with Compound 2-10 ((3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimi… · the same entry in another collection · chain A against A, TM-score 1.00
  • O00329 · 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 0.98

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