MolNFT v1 · #127753 · protein
14-3-3 sigma in complex with taz PS89 peptide and fragment NV3
5N5W · 14-3-3 protein sigma: “14-3-3 sigma in complex with taz PS89 peptide and fragment NV3”. X-ray diffraction, 4 ligands (8OE, MG, CA), 1 pocket (best druggability 0.33). MolNFT v1 #127753 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5N5W
- Type
- protein
- Length
- 239 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 14-3-3 protein sigma; Taz PS89 peptide
- UniProt
- P31947
- Ligands
- 8OE, MG, CA, CL
- Pockets
- 1 · best druggability 0.33
Structure
x-ray diffraction · 2 distinct chains · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 14-3-3 protein sigma | protein | 229 | 83% helix, 0% strand | P31947 |
| P | Taz PS89 peptide | protein | 10 | 0% helix, 0% strand | — |
Ligands and binding sites
- 8OE · 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyaniline · ligand · chains A
- MG · Magnesium ion · metal · 3 copies · chains A
- CA · Calcium ion · metal · chains A
- CL · Chloride ion · ion · 2 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 | 53 | 0.33 | 0.78 | 16 | empty |
Interfaces
1 interface between chains.
- A–P · 865 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (phosphorylation).
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 5N5W · PDBe 5N5W · UniProt P31947
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