MolNFT v1 · #179475 · protein

Crystal structure of PI3KALPHA inhibitor 10-5429

7K6O: “Crystal structure of PI3KALPHA inhibitor 10-5429”. X-ray diffraction, 1 ligand (VY1). MolNFT v1 #179475 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7K6O
Type: protein
Length: 852 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P42336
Ligands: VY1

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	852	—	P42336

Ligands and binding sites

VY1 · (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5, 6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide · ligand · chains A

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

Compared structures

7K6O · Crystal structure of PI3Kalpha inhibitor 10-5429 · 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 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P42336
Elsewhere: RCSB PDB 7K6O · PDBe 7K6O · UniProt P42336

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