Research workbench
IPI-549 bound to the PI3Kg catalytic subunit p110 gamma
Analyse IPI-549 bound to the PI3Kg catalytic subunit p110 gamma in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7JWZ
- Type
- protein
- Length
- 832 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.65
- Source
- Homo sapiens
- Molecule
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
- EC
- 2.7.1.153, 2.7.11.1
- UniProt
- P48736
- Ligands
- V7Y
- Pockets
- 11 · best druggability 0.84
Structure
x-ray diffraction · resolution 2.65 · 1 distinct chain · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (EC 2.7.1.153, 2.7.11.1) | protein | 832 | 46% helix, 17% strand | P48736 |
Ligands and binding sites
- V7Y · 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl) ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1112 | 0.84 | 0.85 | 100 | empty |
| 2 | 435 | 0.68 | 0.80 | 47 | empty |
| 3 | 54 | 0.68 | 0.97 | 21 | empty |
| 4 | 354 | 0.64 | 0.79 | 36 | V7Y |
| 5 | 169 | 0.54 | 0.79 | 24 | empty |
Compared structures
- 7JWZ · Ipi-549 bound to the PI3KG catalytic subunit P110 gamma · the same entry in another collection · chain A against A, TM-score 1.00
- P48736 · 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 P48736
- Elsewhere: RCSB PDB 7JWZ · PDBe 7JWZ · UniProt P48736
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.