MolNFT v1 · #175865 · protein
Structural basis of tropifexor as a potent and selective agonist for farnesoid X receptor
7D42 · Bile acid receptor: “Structural basis of tropifexor as a potent and selective agonist for farnesoid X receptor”. X-ray diffraction, 1 ligand (GWF), 2 pockets (best druggability 0.85). MolNFT v1 #175865 on GenesisL1: 3D structure…
- PDB
- 7D42
- Type
- protein
- Length
- 236 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bile acid receptor; Peptide from nuclear receptor coactivator 2
- UniProt
- Q96RI1, Q15596
- Ligands
- GWF
- Pockets
- 2 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 70% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bile acid receptor | protein | 225 | 71% helix, 0% strand | Q96RI1 |
| B | Peptide from nuclear receptor coactivator 2 | protein | 11 | 55% helix, 0% strand | Q15596 |
Ligands and binding sites
- GWF · Tropifexor · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 406 | 0.85 | 0.92 | 46 | GWF |
| 2 | 136 | 0.42 | 0.75 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 451 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 7D42 · Structural basis of tropifexor as a potent and selective agonist for farnesoid X receptor · 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 Q96RI1
- Every structure of UniProt Q15596
- Elsewhere: RCSB PDB 7D42 · PDBe 7D42 · UniProt Q96RI1 · UniProt Q15596
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