MolNFT v1 · #161579 · protein
Crystal structure of 14-3-3 sigma in complex with ataxin-1 SER776 phosphopeptide
6QIU · 14-3-3 protein sigma: “Crystal structure of 14-3-3 sigma in complex with ataxin-1 SER776 phosphopeptide”. X-ray diffraction, 2 ligands (MG, CL), 2 pockets (best druggability 0.56). MolNFT v1 #161579 on GenesisL1: 3D structure…
- PDB
- 6QIU
- Type
- protein
- Length
- 246 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 14-3-3 protein sigma; Ataxin-1 phosphopeptide
- UniProt
- P31947
- Ligands
- MG, CL
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 14-3-3 protein sigma | protein | 236 | 81% helix, 0% strand | P31947 |
| P | Ataxin-1 phosphopeptide | protein | 10 | 0% helix, 0% strand | — |
Ligands and binding sites
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 | 132 | 0.56 | 0.83 | 20 | empty |
| 2 | 90 | 0.30 | 0.72 | 14 | empty |
Interfaces
1 interface between chains.
- A–P · 778 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 6QIU · Crystal structure of 14-3-3 sigma in complex with Ataxin-1 Ser776 phosphopeptide · the same entry in another collection · chain A against A, TM-score 1.00
- P31947 · AlphaFold monomer V2.0 prediction for 14-3-3 protein sigma (P31947) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P31947
- Elsewhere: RCSB PDB 6QIU · PDBe 6QIU · UniProt P31947
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