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 (A, B) | Orexin receptor type 1 | polymer | 336 | 38132.9 | 2 | UniProt (O43613) Pfam (PF00001) | Homo sapiens (Human) | Ox1R,Hypocretin receptor type 1 |
| 2 | C, M (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) PubChem (124652776) PubChem (124652777) PubChem (134255931) PubChem (124652778) PubChem (138708145) PubChem (56944144) PubChem (76469283) | |||
| 3 | D (A) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) PubChem (8200) | |||
| 4 | E, F, N, O (A, B) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 5 | G, H, I, J, P... (A, B) | octyl 1-thio-beta-D-glucopyranoside | non-polymer | 308.4 | 9 | Chemie (SOG) PubChem (95858718) PubChem (102041106) PubChem (363418) PubChem (656909) PubChem (171395924) PubChem (446404) PubChem (3035440) PubChem (124524845) PubChem (20765008) PubChem (22840433) PubChem (24802439) PubChem (44120068) PubChem (46782626) PubChem (53720324) PubChem (53720325) PubChem (53720326) PubChem (53720327) PubChem (92151891) PubChem (95858717) PubChem (96327603) PubChem (96367497) PubChem (96367498) PubChem (97944776) PubChem (98118655) PubChem (101682121) PubChem (24802438) PubChem (89711063) | |||
| 6 | K, L (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 | U, V (A, B) | 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 |
