MolNFT v1 · #151251 · protein
PI3 kinase delta in complex with 3[6(MORPHOLIN4YL)PYRIDIN2YL]PHENOL
6HI1 · Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic…: “PI3 kinase delta in complex with 3[6(MORPHOLIN4YL)PYRIDIN2YL]PHENOL”. X-ray diffraction, 1 ligand (G5T), 16 pockets (best druggability 0.82). MolNFT v1 #151251 on…
- PDB
- 6HI1
- 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
- G5T
- Pockets
- 16 · best druggability 0.82
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 | 863 | 48% helix, 17% strand | O35904 |
Ligands and binding sites
- G5T · 3-(6-morpholin-4-ylpyridin-2-yl)phenol · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1150 | 0.82 | 0.83 | 84 | empty |
| 2 | 1036 | 0.74 | 0.77 | 96 | empty |
| 3 | 286 | 0.68 | 0.83 | 37 | empty |
| 4 | 245 | 0.59 | 0.79 | 33 | G5T |
| 5 | 109 | 0.54 | 0.83 | 25 | empty |
Compared structures
- 6HI1 · PI3 Kinase Delta in complex with 3[6(morpholin4yl)pyridin2yl]phenol · 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 6HI1 · PDBe 6HI1 · UniProt O35904
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