Research workbench
Characterization of ligands for the orphan nuclear receptor rorbeta
Analyse Characterization of ligands for the orphan nuclear receptor rorbeta in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1NQ7
- Type
- protein
- Length
- 254 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor ror-beta; Steroid receptor coactivator-1
- UniProt
- P45446
- Ligands
- ARL
- Pockets
- 3 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 75% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor ror-beta | protein | 244 | 75% helix, 5% strand | P45446 |
| B | Steroid receptor coactivator-1 | protein | 10 | 80% helix, 0% strand | — |
Ligands and binding sites
- ARL · 7-(3,5-ditert-butylphenyl)-3-methylocta-2,4,6-trienoic 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 359 | 0.86 | 0.95 | 36 | ARL |
| 2 | 122 | 0.45 | 0.77 | 20 | empty |
| 3 | 101 | 0.39 | 0.76 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 569 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 1NQ7 · Characterization of ligands for the orphan nuclear receptor RORbeta · the same entry in another collection · chain A against A, TM-score 1.00
- P45446 · AlphaFold monomer V2.0 prediction for nuclear receptor ror-beta (P45446) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P45446
- Elsewhere: RCSB PDB 1NQ7 · PDBe 1NQ7 · UniProt P45446
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