MolNFT v1 · #170650 · protein
Small-molecule inhibitor of 14-3-3 protein-protein interactions
6YE9 · 14-3-3 protein sigma: “Small-molecule inhibitor of 14-3-3 protein-protein interactions”. X-ray diffraction, 2 ligands (OO8, MG), 1 pocket (best druggability 0.43). MolNFT v1 #170650 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6YE9
- Type
- protein
- Length
- 236 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 14-3-3 protein sigma
- UniProt
- P31947
- Ligands
- OO8, MG
- Pockets
- 1 · best druggability 0.43
Structure
x-ray diffraction · 1 distinct chain · 81% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 14-3-3 protein sigma | protein | 236 | 81% helix, 0% strand | P31947 |
Ligands and binding sites
- OO8 · [2-[2-oxidanylidene-2-[(phenylmethyl) amino]ethoxy]phenyl]phosphonic acid · ligand · chains A
- MG · Magnesium ion · metal · 3 copies · 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 | 149 | 0.43 | 0.74 | 24 | OO8 |
Compared structures
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 6YE9 · PDBe 6YE9 · UniProt P31947
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