MolNFT v1 · #149318 · protein
Structure-based design of trifarotene (CD5789), a potent and selective rar gamma agonist for the treatment of acne
6FX0 · Retinoic acid receptor gamma: “Structure-based design of trifarotene (CD5789), a potent and selective rar gamma agonist for the treatment of…”. X-ray diffraction, 1 ligand (E9T), 3 pockets (best druggability 0.82). MolNFT v1 #149318…
- PDB
- 6FX0
- Type
- protein
- Length
- 238 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Retinoic acid receptor gamma
- UniProt
- P13631
- Ligands
- E9T
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 68% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Retinoic acid receptor gamma | protein | 238 | 68% helix, 4% strand | P13631 |
Ligands and binding sites
- E9T · 6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid · ligand · chains A
- PG4 · Tetraethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 243 | 0.82 | 0.94 | 38 | E9T |
| 2 | 99 | 0.48 | 0.81 | 20 | empty |
| 3 | 86 | 0.45 | 0.80 | 15 | empty |
Compared structures
- 6FX0 · Structure-based design of Trifarotene (CD5789), a potent and selective RAR gamma agonist… · the same entry in another collection · chain A against A, TM-score 1.00
- P13631 · AlphaFold monomer V2.0 prediction for retinoic acid receptor gamma (P13631) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P13631
- Elsewhere: RCSB PDB 6FX0 · PDBe 6FX0 · UniProt P13631
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