MolNFT v1 · #185292 · protein
PI3 kinase delta in complex with N-[2-(2-fluoro-4-{[4-(propan-2-yl) piperazin-1-YL]METHYL}PHENYL)PYRIDIN-4-yl]-2-methoxy-5-(morpholin-4- YL)PYRIDINE-3-sulfonamide
7POR · Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic…: “PI3 kinase delta in complex with N-[2-(2-fluoro-4-{[4-(propan-2-yl)…”. X-ray diffraction, 1 ligand (7XH), 10 pockets (best druggability 0.81). MolNFT v1 #185292 on…
- PDB
- 7POR
- Type
- protein
- Length
- 859 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
- 7XH
- Pockets
- 10 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 17% 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 | 859 | 48% helix, 17% strand | O35904 |
Ligands and binding sites
- 7XH · ~{N}-[2-[2-fluoranyl-4-[(4-propan-2-ylpiperazin-1-yl) methyl]phenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-yl-pyridine-3-sulfonamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1151 | 0.81 | 0.83 | 82 | empty |
| 2 | 1020 | 0.73 | 0.76 | 109 | empty |
| 3 | 263 | 0.67 | 0.83 | 39 | empty |
| 4 | 319 | 0.61 | 0.78 | 37 | 7XH |
| 5 | 82 | 0.47 | 0.81 | 22 | empty |
Compared structures
- 7POR · PI3 kinase delta in complex with N-[2-(2-fluoro-4-{[4-(propan-2-yl)piperazin-1-yl]methyl}p… · 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 7POR · PDBe 7POR · UniProt O35904
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