MolNFT v1 · #129636 · protein
PQR309 - a potent, brain-penetrant, orally bioavailable, pan-class I PI3K/MTOR inhibitor as clinical candidate in oncology
5OQ4: “PQR309 - a potent, brain-penetrant, orally bioavailable, pan-class I PI3K/MTOR inhibitor as clinical…”. X-ray diffraction, 2 ligands (A3W, SO4). MolNFT v1 #129636 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5OQ4
- Type
- protein
- Length
- 834 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P48736
- Ligands
- A3W, SO4
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 834 | — | P48736 |
Ligands and binding sites
- A3W · 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5OQ4 · PQR309 - a Potent, Brain-Penetrant, Orally Bioavailable, pan-Class I PI3K/mTOR Inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00
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 P48736
- Elsewhere: RCSB PDB 5OQ4 · PDBe 5OQ4 · UniProt P48736
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