Research workbench
Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 4
Analyse Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6XXC
- Type
- protein
- Length
- 242 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.3
- Source
- Homo sapiens; SYNTHETIC CONSTRUCT
- Molecule
- 14-3-3 protein sigma; Estrogen Related Receptor gamma phosphopeptide
- UniProt
- P31947
- Ligands
- O3W, MG, CL
- Pockets
- 1 · best druggability 0.47
Structure
x-ray diffraction · resolution 1.3 · 2 distinct chains · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 14-3-3 protein sigma | protein | 235 | 81% helix, 0% strand | P31947 |
| B | Estrogen Related Receptor gamma phosphopeptide | protein | 7 | 0% helix, 0% strand | — |
Ligands and binding sites
- O3W · ~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide · ligand · chains A, B
- MG · Magnesium ion · metal · 3 copies · chains A
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 122 | 0.47 | 0.78 | 21 | O3W |
Interfaces
1 interface between chains.
- A–B · 502 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent, 1 modified (covalent ligand, phosphorylation).
Compared structures
- 6XXC · Ternary complex of 14-3-3 sigma (C38N), estrogen related receptor gamma (dbd)… · 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 6XXC · PDBe 6XXC · UniProt P31947
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