MolNFT v1 · #161413 · protein
Crystal structure of 14-3-3SIGMA in complex with a RAPGEF2 PT740 phosphopeptide inhibited by semi-synthetic fusicoccane Fc-ncpc
6QDU · 14-3-3 protein sigma: “Crystal structure of 14-3-3SIGMA in complex with a RAPGEF2 PT740 phosphopeptide inhibited by semi-synthetic…”. X-ray diffraction, 4 ligands (HY5, TPO, NA), 1 pocket (best druggability 0.55). MolNFT v1 #161413…
- PDB
- 6QDU
- Type
- protein
- Length
- 231 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 14-3-3 protein sigma
- UniProt
- P31947
- Ligands
- HY5, TPO, NA, CL
- Pockets
- 1 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 14-3-3 protein sigma | protein | 231 | 80% helix, 0% strand | P31947 |
Ligands and binding sites
- HY5 · Fc-ncpc · ligand · chains A
- TPO · Phosphothreonine · ligand · chains A
- NA · Sodium ion · metal · 2 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 262 | 0.55 | 0.77 | 29 | HY5, TPO |
Compared structures
- 6QDU · Crystal structure of 14-3-3sigma in complex with a RapGef2 pT740 phosphopeptide inhibited… · 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 0.96
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 6QDU · PDBe 6QDU · UniProt P31947
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