6TOT
Crystal structure of the Orexin-1 receptor in complex with lemborexant
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 | 336 | 38132.9 | 2 | UniProt (O43613) Pfam (PF00001) In PDB | Homo sapiens (Human) | Ox1R,Hypocretin receptor type 1 |
| 2 | A, B | (1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide | non-polymer | 410.4 | 2 | Chemie (NRK) | |||
| 3 | A | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 4 | A, B | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 5 | A, B | octyl 1-thio-beta-D-glucopyranoside | non-polymer | 308.4 | 9 | Chemie (SOG) | |||
| 6 | A | (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) | |||
| 7 | water | water | 18.0 | 43 | 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 |
| - | Ala 253 | deletion |
| - | Leu 254 | deletion |
| - | Val 255 | deletion |
| - | Arg 256 | deletion |
| - | Asn 257 | deletion |
| - | Trp 258 | deletion |
| - | Lys 259 | deletion |
| - | Arg 260 | deletion |
| - | Pro 261 | deletion |
| - | Ser 262 | deletion |
| - | Asp 263 | deletion |
| - | Gln 264 | deletion |
| - | Leu 265 | deletion |
| - | Gly 266 | deletion |
| - | Asp 267 | deletion |
| - | Leu 268 | deletion |
| - | Glu 269 | deletion |
| - | Gln 270 | deletion |
| - | Gly 271 | deletion |
| - | Leu 272 | deletion |
| - | Ser 273 | deletion |
| - | Gly 274 | deletion |
| - | Glu 275 | deletion |
| - | Pro 276 | deletion |
| - | Gln 277 | deletion |
| - | Pro 278 | deletion |
| - | Arg 279 | deletion |
| - | Ala 280 | deletion |
| - | Arg 281 | deletion |
| - | Ala 282 | deletion |
| - | Phe 283 | deletion |
| - | Leu 284 | deletion |
| 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 | 76265.7 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 5673.2 | |
| All* | Total formula weight | 81938.9 |
