MolNFT v1 · #170003 · protein
Y114C transthyretin structure in complex with tolcalpone
6XTK: “Y114C transthyretin structure in complex with tolcalpone”. X-ray diffraction, 1 ligand (TCW), 1 pocket (best druggability 0.27). MolNFT v1 #170003 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6XTK
- Type
- protein
- Length
- 228 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transthyretin
- UniProt
- P02766
- Ligands
- TCW
- Pockets
- 1 · best druggability 0.27
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transthyretin | protein | 116 | 6% helix, 51% strand | P02766 |
| B | Transthyretin | protein | 112 | 6% helix, 53% strand | P02766 |
Ligands and binding sites
- TCW · Tolcapone · ligand · 2 copies · chains A, B
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 | 63 | 0.27 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 878 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 6XTK · Y114C Transthyretin structure in complex with Tolcalpone · 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 6XTK · PDBe 6XTK · UniProt P02766
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