MolNFT v1 · #144450 · protein
Crystal structure of the PI3KC2ALPHA C2 domain in space group P41212
6BTY · Phosphatidylinositol 4-phosphate 3-kinase C2 domain…: “Crystal structure of the PI3KC2ALPHA C2 domain in space group P41212”. X-ray diffraction, 1 ligand (O4B), 2 pockets (best druggability 0.54). MolNFT v1 #144450 on GenesisL1: 3D…
- PDB
- 6BTY
- Type
- protein
- Length
- 250 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphatidylinositol 4-phosphate 3-kinase C2 domain- containing subunit alpha
- EC
- 2.7.1.154
- UniProt
- O00443
- Ligands
- O4B
- Pockets
- 2 · best druggability 0.54
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphatidylinositol 4-phosphate 3-kinase C2 domain- containing subunit alpha (EC 2.7.1.154) | protein | 122 | 6% helix, 51% strand | O00443 |
| B | Phosphatidylinositol 4-phosphate 3-kinase C2 domain- containing subunit alpha (EC 2.7.1.154) | protein | 128 | 5% helix, 48% strand | O00443 |
Ligands and binding sites
- O4B · 1,4,7,10,13,16-hexaoxacyclooctadecane · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 219 | 0.54 | 0.78 | 29 | empty |
| 2 | 123 | 0.47 | 0.79 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 409 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6BTY · Crystal structure of the PI3KC2alpha C2 domain in space group P41212 · the same entry in another collection · chain A against A, TM-score 1.00
- O00443 · AlphaFold monomer V2.0 prediction for phosphatidylinositol 4-phosphate 3-kinase C2… · 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 O00443
- Elsewhere: RCSB PDB 6BTY · PDBe 6BTY · UniProt O00443
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