Research workbench
Discovery of CDZ173 (leniolisib), representing a structurally novel class of PI3K delta-selective inhibitors
Analyse Discovery of CDZ173 (leniolisib), representing a structurally novel class of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5O83
- Type
- protein
- Length
- 794 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
- 9NQ
- Pockets
- 10 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 16% 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 | 794 | 47% helix, 16% strand | O35904 |
Ligands and binding sites
- 9NQ · Leniolisib · 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, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1044 | 0.81 | 0.82 | 73 | empty |
| 2 | 1138 | 0.77 | 0.79 | 134 | empty |
| 3 | 185 | 0.68 | 0.86 | 30 | empty |
| 4 | 110 | 0.66 | 0.90 | 25 | empty |
| 5 | 182 | 0.65 | 0.85 | 45 | empty |
Compared structures
- 5O83 · Discovery of CDZ173 (leniolisib), Representing a Structurally Novel Class of PI3K… · 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 0.99
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 5O83 · PDBe 5O83 · UniProt O35904
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