Research workbench
Crystal structure of PI3K gamma with 5-(2,4-dimorpholinopyrimidin-6- yl)-4-(TRIFLUOROMETHYL)PYRIDIN-2-amine
Analyse Crystal structure of PI3K gamma with 5-(2,4-dimorpholinopyrimidin-6… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3SD5
- Type
- protein
- Length
- 817 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
- EC
- 2.7.1.153
- UniProt
- P48736
- Ligands
- SD5
- Pockets
- 11 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (EC 2.7.1.153) | protein | 817 | 46% helix, 17% strand | P48736 |
Ligands and binding sites
- SD5 · 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 985 | 0.83 | 0.84 | 87 | empty |
| 2 | 53 | 0.72 | 0.98 | 20 | empty |
| 3 | 280 | 0.66 | 0.82 | 34 | SD5 |
| 4 | 389 | 0.65 | 0.79 | 62 | empty |
| 5 | 340 | 0.63 | 0.79 | 50 | empty |
Compared structures
- 3SD5 · Crystal Structure of PI3K gamma with 5-(2,4-dimorpholinopyrimidin-6-yl)-4-(trifluoromethyl… · the same entry in another collection · chain A against A, TM-score 1.00
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 P48736
- Elsewhere: RCSB PDB 3SD5 · PDBe 3SD5 · UniProt P48736
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