MolNFT v1 · #182616 · protein
Cryo-EM structure of P110ALPHA in complex with P85ALPHA inhibited by byl-719
7MYO · Phosphatidylinositol 3-kinase regulatory subunit alpha: “Cryo-EM structure of P110ALPHA in complex with P85ALPHA inhibited by byl-719”. Electron microscopy, 1 ligand (1LT), 20 pockets (best druggability 0.85). MolNFT v1 #182616 on…
- PDB
- 7MYO
- Type
- protein
- Length
- 1,278 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphatidylinositol 3-kinase regulatory subunit alpha; Phosphatidylinositol…
- EC
- 2.7.1.153, 2.7.11.1
- UniProt
- P27986, P42336
- Ligands
- 1LT
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 2 distinct chains · 44% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Phosphatidylinositol 3-kinase regulatory subunit alpha | protein | 286 | 59% helix, 4% strand | P27986 |
| A | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (EC 2.7.1.153, 2.7.11.1) | protein | 992 | 40% helix, 17% strand | P42336 |
Ligands and binding sites
- 1LT · (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 745 | 0.85 | 0.88 | 82 | empty |
| 2 | 998 | 0.84 | 0.85 | 76 | empty |
| 3 | 759 | 0.78 | 0.82 | 81 | empty |
| 4 | 148 | 0.76 | 0.93 | 30 | empty |
| 5 | 611 | 0.76 | 0.82 | 48 | empty |
Interfaces
1 interface between chains.
- B–A · 3038 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
- 7MYO · Cryo-EM structure of p110alpha in complex with p85alpha inhibited by BYL-719 · the same entry in another collection · chain B against B, 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 0.98
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 P27986
- Every structure of UniProt P42336
- Elsewhere: RCSB PDB 7MYO · PDBe 7MYO · UniProt P27986 · UniProt P42336
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