Research workbench
Crystal structure of retinoic acid receptor alpha (rxra) in complexed with S169 inhibitor
Analyse Crystal structure of retinoic acid receptor alpha (rxra) in complexed with S169… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7B9O
- Type
- protein
- Length
- 221 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
- T72
- Pockets
- 2 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 72% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Retinoic acid receptor rxr-alpha | protein | 209 | 72% helix, 3% strand | P19793 |
| C | Nuclear receptor coactivator 2 | protein | 12 | 67% helix, 0% strand | Q15596 |
Ligands and binding sites
- T72 · 3-(5-(3,5-bis(trifluoromethyl)phenyl)-4-phenyloxazol-2-yl)propanoic 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 | 291 | 0.83 | 0.93 | 41 | T72 |
| 2 | 56 | 0.29 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–C · 456 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 7B9O · Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S169 inhibitor · 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 7B9O · PDBe 7B9O · UniProt P19793 · UniProt Q15596
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