Research workbench
PI3KC2a core in complex with PITCOIN1
Analyse PI3KC2a core in complex with PITCOIN1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 8A9I
- Type
- protein
- Length
- 822 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.87
- Source
- Mus musculus
- Molecule
- Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha
- EC
- 2.7.1.137, 2.7.1.153, 2.7.1.154
- UniProt
- Q61194
- Ligands
- TSW, SO4
- Pockets
- 9 · best druggability 0.86
Structure
x-ray diffraction · resolution 2.87 · 1 distinct chain · 42% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha (EC 2.7.1.137, 2.7.1.153, 2.7.1.154) | protein | 822 | 42% helix, 20% strand | Q61194 |
Ligands and binding sites
- TSW · 2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-~{N}-(1,3-thiazol-2-yl)ethanamide · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 941 | 0.86 | 0.87 | 96 | empty |
| 2 | 956 | 0.77 | 0.80 | 80 | empty |
| 3 | 305 | 0.63 | 0.79 | 30 | TSW |
| 4 | 90 | 0.51 | 0.83 | 19 | empty |
| 5 | 62 | 0.48 | 0.84 | 14 | EDO |
Compared structures
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 Q61194
- Elsewhere: RCSB PDB 8A9I · PDBe 8A9I · UniProt Q61194
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