6V9S: Structure-based development of subtype-selective orexin 1 receptor antagonists

PDB ID: 6V9SDownload
MMDB ID: 190119
PDB Deposition Date: 2019/12/16
Updated in MMDB: 2023/10
Experimental Method:
x-ray diffraction
Resolution: 3.5  Å
Source Organism:
Similar Structures:
Biological Unit for 6V9S: monomeric; determined by author and by software (PISA)
Molecular Components in 6V9S
Label Count Molecule
Protein (1 molecule)
1
Orexin Receptor Type 1,glga Glycogen Synthase Chimera
(Gene symbol: HCRTR1)
Molecule annotation
Chemicals and Non-standard biopolymers (3 molecules)
1
1
[(2S)-2-[(2S)-butan-2-yl]-4-(5-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone[(2S)-2-[(2S)-butan-2-yl]-4-(5-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone
2
1
CHOLESTEROLCHOLESTEROL
3
1
OLEIC ACIDOLEIC ACID
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303