MolNFT v1 · #169558 · protein
Crystal structure of rar-related orphan receptor C in complex with a novel inverse agonist
6XFV · Nuclear receptor ror-gamma: “Crystal structure of rar-related orphan receptor C in complex with a novel inverse agonist”. X-ray diffraction, 1 ligand (V27), 7 pockets (best druggability 0.83). MolNFT v1 #169558 on GenesisL1: 3D…
- PDB
- 6XFV
- Type
- protein
- Length
- 442 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor ror-gamma
- UniProt
- P51449
- Ligands
- V27
- Pockets
- 7 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 70% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Nuclear receptor ror-gamma | protein | 221 | 70% helix, 5% strand | P51449 |
Ligands and binding sites
- V27 · 1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 495 | 0.83 | 0.89 | 41 | V27 |
| 2 | 441 | 0.83 | 0.90 | 39 | V27 |
| 3 | 221 | 0.59 | 0.80 | 21 | empty |
| 4 | 130 | 0.47 | 0.78 | 17 | empty |
| 5 | 166 | 0.41 | 0.72 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 67 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6XFV · Crystal structure of rar-related orphan receptor C in complex with a novel inverse agonist · 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 P51449
- Elsewhere: RCSB PDB 6XFV · PDBe 6XFV · UniProt P51449
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.