6V9S
Structure-based development of subtype-selective orexin 1 receptor antagonists
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Orexin receptor type 1,GlgA glycogen synthase chimera | polymer | 553 | 62743.1 | 1 | UniProt (O43613) UniProt (Q9V2J8) Pfam (PF00001) Pfam (PF13692) In PDB | Homo sapiens (Human) | Ox1R,Hypocretin receptor type 1,Glycogen synthase |
2 | A | [(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 | non-polymer | 493.0 | 1 | Chemie (JHC) | |||
3 | A | CHOLESTEROL | non-polymer | 386.7 | 1 | Chemie (CLR) | |||
4 | A | OLEIC ACID | non-polymer | 282.5 | 1 | Chemie (OLA) |
Sequence modifications
A: 1 - 246 (UniProt: O43613)
A: 1001 - 1196 (UniProt: Q9V2J8)
A: 288 - 380 (UniProt: O43613)
PDB | External Database | Details |
---|---|---|
Asp -7 | - | expression tag |
Tyr -6 | - | expression tag |
Lys -5 | - | expression tag |
Asp -4 | - | expression tag |
Asp -3 | - | expression tag |
Asp -2 | - | expression tag |
Asp -1 | - | expression tag |
Ala 0 | - | expression tag |
Lys 133 | Ala 133 | conflict |
A: 288 - 380 (UniProt: O43613)
PDB | External Database | Details |
---|---|---|
Ile 319 | Val 319 | conflict |
His 381 | - | expression tag |
His 382 | - | expression tag |
His 383 | - | expression tag |
His 384 | - | expression tag |
His 385 | - | expression tag |
His 386 | - | expression tag |
His 387 | - | expression tag |
His 388 | - | expression tag |
His 389 | - | expression tag |
His 390 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 62743.1 | |
Non-Polymers* | Number of molecules | 3 |
Total formula weight | 1162.1 | |
All* | Total formula weight | 63905.2 |