MolNFT v1 · #163984 · protein
Crystal structure of the retinoic acid receptor alpha in complex with compound 24 (JP175)
6SJM · Retinoic acid receptor rxr-alpha: “Crystal structure of the retinoic acid receptor alpha in complex with compound 24 (JP175)”. X-ray diffraction, 1 ligand (LFZ), 3 pockets (best druggability 0.83). MolNFT v1 #163984 on GenesisL1: 3D…
- PDB
- 6SJM
- 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; Nuclear receptor coactivator 2
- UniProt
- P19793, Q15596
- Ligands
- LFZ
- Pockets
- 3 · best druggability 0.83
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 | 212 | 69% helix, 3% strand | P19793 |
| B | Nuclear receptor coactivator 2 | protein | 13 | 62% helix, 0% strand | Q15596 |
Ligands and binding sites
- LFZ · 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid · ligand · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 179 | 0.83 | 0.96 | 27 | LFZ |
| 2 | 66 | 0.52 | 0.86 | 16 | empty |
| 3 | 59 | 0.33 | 0.77 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 575 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 6SJM · Crystal structure of the Retinoic Acid Receptor alpha in complex with compound 24 (JP175) · 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
- Every structure of UniProt Q15596
- Elsewhere: RCSB PDB 6SJM · PDBe 6SJM · UniProt P19793 · UniProt Q15596
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