MolNFT v1 · #85427 · protein
Crystal structure of transthyretin in complex with ligand C-18
4AC4: “Crystal structure of transthyretin in complex with ligand C-18”. X-ray diffraction, 1 ligand (HKA), 3 pockets (best druggability 0.34). MolNFT v1 #85427 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4AC4
- Type
- protein
- Length
- 230 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transthyretin
- UniProt
- P02766
- Ligands
- HKA
- Pockets
- 3 · best druggability 0.34
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Transthyretin | protein | 115 | 5% helix, 53% strand | P02766 |
Ligands and binding sites
- HKA · 3-methoxy-4-phenoxybenzoic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 66 | 0.34 | 0.76 | 14 | empty |
| 2 | 64 | 0.32 | 0.76 | 14 | empty |
| 3 | 50 | 0.26 | 0.73 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 922 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 4AC4 · Crystal structure of transthyretin in complex with ligand C-18 · 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 4AC4 · PDBe 4AC4 · UniProt P02766
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.