MolNFT v1 · #185291 · protein
PI3 kinase delta in complex with 5-[3,6-dihydro-2H-pyran-4-yl]-2- methoxy-N-[2-methylpyridin-4-YL]PYRIDINE-3-sulfonamide
7POP · Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic…: “PI3 kinase delta in complex with 5-[3,6-dihydro-2H-pyran-4-yl]-2…”. X-ray diffraction, 1 ligand (7VT), 13 pockets (best druggability 0.83). MolNFT v1 #185291 on GenesisL1…
- PDB
- 7POP
- Type
- protein
- Length
- 863 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
- EC
- 2.7.1.153
- UniProt
- O35904
- Ligands
- 7VT
- Pockets
- 13 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (EC 2.7.1.153) | protein | 863 | 47% helix, 19% strand | O35904 |
Ligands and binding sites
- 7VT · 5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]pyridine-3-sulfonamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1027 | 0.83 | 0.84 | 73 | empty |
| 2 | 369 | 0.75 | 0.85 | 51 | empty |
| 3 | 685 | 0.71 | 0.78 | 75 | empty |
| 4 | 502 | 0.64 | 0.76 | 53 | empty |
| 5 | 337 | 0.63 | 0.78 | 39 | 7VT |
Compared structures
- 7POP · PI3 kinase delta in complex with 5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridi… · the same entry in another collection · chain A against A, TM-score 1.00
- O35904 · 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 O35904
- Elsewhere: RCSB PDB 7POP · PDBe 7POP · UniProt O35904
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