6TQ4
Crystal structure of the Orexin-1 receptor in complex with Compound 16
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Orexin receptor type 1 | polymer | 368 | 41725.9 | 2 | UniProt (O43613) Pfam (PF00001) In PDB | Homo sapiens (Human) | Ox1R,Hypocretin receptor type 1 |
2 | A, B | 2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole | non-polymer | 397.5 | 2 | Chemie (NV8) | |||
3 | A, B | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
4 | A, B | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate | non-polymer | 749.0 | 2 | Chemie (PGW) | |||
5 | A, B | octyl 1-thio-beta-D-glucopyranoside | non-polymer | 308.4 | 13 | Chemie (SOG) | |||
6 | A | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
7 | water | water | 18.0 | 42 | Chemie (HOH) |
Sequence modifications
A, B: 28 - 380 (UniProt: O43613)
PDB | External Database | Details |
---|---|---|
Ala 25 | - | expression tag |
Ala 26 | - | expression tag |
Ser 27 | - | expression tag |
Ala 46 | Glu 46 | engineered mutation |
Leu 85 | Ile 85 | engineered mutation |
Ala 95 | Val 95 | engineered mutation |
Leu 162 | Arg 162 | engineered mutation |
Ala 194 | Asn 194 | engineered mutation |
Ala 198 | Leu 198 | engineered mutation |
Ala 211 | Tyr 211 | engineered mutation |
Val 304 | Leu 304 | engineered mutation |
Ala 339 | Cys 339 | engineered mutation |
Trp 375 | Cys 375 | engineered mutation |
Trp 376 | Cys 376 | engineered mutation |
Ala 381 | - | expression tag |
Ala 382 | - | expression tag |
Ala 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 |
His 391 | - | expression tag |
His 392 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 83451.8 | |
Non-Polymers* | Number of molecules | 22 |
Total formula weight | 6709.9 | |
All* | Total formula weight | 90161.7 |