MolNFT v1 · #162801 · protein
Fragment az-018 binding at the TAZPS89/14-3-3 sigma interface
6RJL · 14-3-3 protein sigma: “Fragment az-018 binding at the TAZPS89/14-3-3 sigma interface”. X-ray diffraction, 1 ligand (K5Z), 1 pocket (best druggability 0.32). MolNFT v1 #162801 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6RJL
- 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; TAZPS89
- UniProt
- P31947
- Ligands
- K5Z
- Pockets
- 1 · best druggability 0.32
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 | 81% helix, 0% strand | P31947 |
| P | TAZPS89 | protein | 10 | 0% helix, 0% strand | — |
Ligands and binding sites
- K5Z · 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide · ligand · chains A, P
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 | 56 | 0.32 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–P · 826 Ų buried · 18 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 6RJL · PDBe 6RJL · UniProt P31947
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