Research workbench
Crystal structure of the human OX2 orexin receptor bound to the insomnia drug suvorexant
Analyse Crystal structure of the human OX2 orexin receptor bound to the insomnia drug… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4S0V
- Type
- protein
- Length
- 478 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Human orexin receptor type 2 fusion protein to P. abysii glycogen synthase
- UniProt
- O43614, Q9V2J8
- Ligands
- SUV, OLA
- Pockets
- 5 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 67% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Human orexin receptor type 2 fusion protein to P. abysii glycogen synthase | protein | 478 | 67% helix, 9% strand | O43614, Q9V2J8 |
Ligands and binding sites
- SUV · [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl) phenyl]methanone · ligand · chains A
- OLA · Oleic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 663 | 0.83 | 0.87 | 43 | SUV |
| 2 | 114 | 0.54 | 0.83 | 24 | empty |
| 3 | 152 | 0.45 | 0.76 | 21 | empty |
| 4 | 128 | 0.42 | 0.76 | 27 | empty |
| 5 | 54 | 0.31 | 0.76 | 12 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4S0V · Crystal structure of the human OX2 orexin receptor bound to the insomnia drug Suvorexant · the same entry in another collection · chain A against A, TM-score 1.00
- O43614 · AlphaFold monomer V2.0 prediction for orexin receptor type 2 (O43614) · a predicted model of the same protein · chain A against A, TM-score 0.64
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 O43614
- Every structure of UniProt Q9V2J8
- Elsewhere: RCSB PDB 4S0V · PDBe 4S0V · UniProt O43614 · UniProt Q9V2J8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.