Research workbench
14-3-3 protein interaction with estrogen receptor alpha provides a novel drug target interface
Analyse 14-3-3 protein interaction with estrogen receptor alpha provides a novel drug… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4JC3
- Type
- protein
- Length
- 241 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 14-3-3 protein sigma; Estrogen receptor peptide
- UniProt
- P31947, P03372
- Ligands
- MG
- Pockets
- 2 · best druggability 0.52
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 | 80% helix, 0% strand | P31947 |
| B | Estrogen receptor peptide | protein | 5 | 0% helix, 0% strand | P03372 |
Ligands and binding sites
- MG · Magnesium ion · metal · 3 copies · chains A
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 | 130 | 0.52 | 0.81 | 20 | empty |
| 2 | 62 | 0.34 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 450 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 4JC3 · 14-3-3 protein interaction with Estrogen Receptor Alpha provides a novel drug target… · 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
- P03372 · AlphaFold monomer V2.0 prediction for estrogen receptor (P03372) · a predicted model of the same protein · chain B against A, TM-score 0.90
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
- Every structure of UniProt P03372
- Elsewhere: RCSB PDB 4JC3 · PDBe 4JC3 · UniProt P31947 · UniProt P03372
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