Research workbench
Crystal structure of PI3K P110GAMMA catalytical domain in complex with organoruthenium inhibitor E5E2
Analyse Crystal structure of PI3K P110GAMMA catalytical domain in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3CST
- Type
- protein
- Length
- 836 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
- E52
- Pockets
- 14 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 44% 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 | 836 | 44% helix, 17% strand | P48736 |
Ligands and binding sites
- E52 · Methylated Ruthenium Pyridocarbazole · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1071 | 0.82 | 0.83 | 76 | empty |
| 2 | 661 | 0.73 | 0.79 | 63 | E52 |
| 3 | 338 | 0.64 | 0.80 | 31 | empty |
| 4 | 327 | 0.63 | 0.79 | 51 | empty |
| 5 | 144 | 0.48 | 0.78 | 29 | empty |
Compared structures
- 3CST · Crystal structure of PI3K p110gamma catalytical domain in complex with organoruthenium… · 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 3CST · PDBe 3CST · UniProt P48736
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