Research workbench
PI3K delta in complex with methoxymethyloxathiatetraazatetracyclodocosahexaenedione
Analyse PI3K delta in complex with methoxymethyloxathiatetraazatetracyclodocosahexaenedi… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6ZAD
- Type
- protein
- Length
- 864 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
- QDW
- Pockets
- 13 · 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 | 864 | 48% helix, 17% strand | O35904 |
Ligands and binding sites
- QDW · Methoxymethyloxathiatetraazatetracyclodocosahexaenedion E · 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, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1187 | 0.81 | 0.83 | 83 | empty |
| 2 | 289 | 0.69 | 0.83 | 43 | empty |
| 3 | 635 | 0.68 | 0.77 | 53 | empty |
| 4 | 310 | 0.61 | 0.78 | 38 | QDW |
| 5 | 402 | 0.60 | 0.76 | 40 | empty |
Compared structures
- 6ZAD · PI3K Delta in complex with methoxymethyloxathiatetraazatetracyclodocosahexaenedione · 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 6ZAD · PDBe 6ZAD · UniProt O35904
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