MolNFT v1 · #172215 · protein
14-3-3 sigma in complex with phosphorylated GAB2PT391 peptide - 48H incubation
6ZVC · 14-3-3 protein sigma: “14-3-3 sigma in complex with phosphorylated GAB2PT391 peptide - 48H incubation”. X-ray diffraction, 1 ligand (MG), 2 pockets (best druggability 0.48). MolNFT v1 #172215 on GenesisL1: 3D structure, binding…
- PDB
- 6ZVC
- 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; Phosphorylated GAB2PT391 peptide
- UniProt
- P31947
- Ligands
- MG
- Pockets
- 2 · best druggability 0.48
Structure
x-ray diffraction · 2 distinct chains · 76% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 14-3-3 protein sigma | protein | 236 | 80% helix, 0% strand | P31947 |
| P | Phosphorylated GAB2PT391 peptide | protein | 10 | 0% helix, 0% strand | — |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 113 | 0.48 | 0.79 | 15 | empty |
| 2 | 57 | 0.29 | 0.75 | 12 | empty |
Interfaces
1 interface between chains.
- A–P · 734 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation, phosphorylation).
Compared structures
- 6ZVC · 14-3-3 Sigma in complex with phosphorylated Gab2pT391 peptide - 48h incubation · 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 6ZVC · PDBe 6ZVC · UniProt P31947
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