MolNFT v1 · #126982 · protein
Crystal structure of the retinoid X receptor alpha in complex with synthetichonokiol derivative 3 and a fragment of the TIF2 co- activator.
5MJ5 · Retinoic acid receptor rxr-alpha: “Crystal structure of the retinoid X receptor alpha in complex with synthetichonokiol derivative 3 and a…”. X-ray diffraction, 1 ligand (7O0), 2 pockets (best druggability 0.80). MolNFT v1 #126982…
- PDB
- 5MJ5
- Type
- protein
- Length
- 225 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Retinoic acid receptor rxr-alpha; Lys-his-lys-ile-leu-his-arg-leu-leu-gln-asp-ser
- UniProt
- P19793
- Ligands
- 7O0
- Pockets
- 2 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 68% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Retinoic acid receptor rxr-alpha | protein | 213 | 69% helix, 3% strand | P19793 |
| B | Lys-his-lys-ile-leu-his-arg-leu-leu-gln-asp-ser | protein | 12 | 58% helix, 0% strand | — |
Ligands and binding sites
- 7O0 · (~{E})-3-[4-oxidanyl-3-[3-(phenylmethyl) phenyl]phenyl]prop-2-enoic acid · 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 | 276 | 0.80 | 0.91 | 40 | 7O0 |
| 2 | 84 | 0.36 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 528 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 5MJ5 · Crystal structure of the Retinoid X Receptor alpha in complex with synthetichonokiol… · 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 P19793
- Elsewhere: RCSB PDB 5MJ5 · PDBe 5MJ5 · UniProt P19793
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