MolNFT v1 · #113615 · protein
Transthyretin binding heterogeneity and anti-amyloidogenic activity of natural polyphenols and their metabolites: resveratrol-4'-O- glucuronide
5AKT: “Transthyretin binding heterogeneity and anti-amyloidogenic activity of natural polyphenols and their…”. X-ray diffraction, 2 ligands (R4G, SO4), 2 pockets (best druggability 0.33). MolNFT v1 #113615 on GenesisL1: 3D structure…
- PDB
- 5AKT
- Type
- protein
- Length
- 231 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transthyretin
- UniProt
- P02766
- Ligands
- R4G, SO4
- Pockets
- 2 · best druggability 0.33
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transthyretin | protein | 116 | 5% helix, 53% strand | P02766 |
| B | Transthyretin | protein | 115 | 6% helix, 53% strand | P02766 |
Ligands and binding sites
- R4G · Resveratrol-4'-O-glucuronide · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
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 | 73 | 0.33 | 0.76 | 17 | empty |
| 2 | 50 | 0.30 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 921 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 5AKT · Transthyretin binding heterogeneity and anti-amyloidogenic activity of natural… · the same entry in another collection · chain A against A, TM-score 1.00
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 P02766
- Elsewhere: RCSB PDB 5AKT · PDBe 5AKT · UniProt P02766
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