MolNFT v1 · #66948 · protein
Crystal structure of PI3K SH3
3I5S · Phosphatidylinositol 3-kinase regulatory subunit alpha: “Crystal structure of PI3K SH3”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.34). MolNFT v1 #66948 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3I5S
- Type
- protein
- Length
- 308 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphatidylinositol 3-kinase regulatory subunit alpha
- UniProt
- P27986
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.34
Structure
x-ray diffraction · 1 distinct chain · 18% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Phosphatidylinositol 3-kinase regulatory subunit alpha | protein | 77 | 18% helix, 38% strand | P27986 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A, 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 110 | 0.34 | 0.73 | 13 | empty |
| 2 | 91 | 0.32 | 0.73 | 14 | empty |
Interfaces
2 interfaces between chains.
- A–B · 445 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 16 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3I5S · Crystal structure of PI3K SH3 · 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 P27986
- Elsewhere: RCSB PDB 3I5S · PDBe 3I5S · UniProt P27986
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