Structure of an allosteric modulator bound to the CB1 cannabinoid receptor. Determined by X-ray diffraction at 3.25 Å resolution. Released 23 Oct 2019.
Explore 6KQI in 3D Show helices and sheets RCSB PDB PDBe
6KQI contains 26 α-helices and 12 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 105-108 | 4 | |
| α-helix | 113-126 | 14 | |
| α-helix | 128-143 | 16 | |
| α-helix | 145-148 | 4 | |
| α-helix | 155-162 | 8 | |
| α-helix | 165-178 | 14 | |
| α-helix | 186-219 | 34 | |
| α-helix | 224-227 | 4 | |
| α-helix | 230-248 | 19 | |
| α-helix | 263 | 1 | |
| β-strand | 264 | 1 | 1 |
| α-helix | 265 | 1 | |
| β-strand | 272 | 1 | 1 |
| α-helix | 273-299 | 27 | |
| α-helix | 1009-1011 | 3 | |
| α-helix | 1016-1027 | 12 | |
| β-strand | 1033-1038 | 6 | 2 |
| β-strand | 1041 | 1 | 3 |
| α-helix | 1048-1058 | 11 | |
| α-helix | 1062-1064 | 3 | |
| β-strand | 1067-1072 | 6 | 2 |
| β-strand | 1075 | 1 | 3 |
| α-helix | 1077-1089 | 13 | |
| β-strand | 1093-1096 | 4 | 2 |
| α-helix | 1104-1111 | 8 | |
| β-strand | 1114-1117 | 4 | 2 |
| β-strand | 1122 | 1 | 4 |
| α-helix | 1126-1133 | 8 | |
| β-strand | 1137-1141 | 5 | 2 |
| β-strand | 1144 | 1 | 4 |
| α-helix | 1145-1147 | 3 | |
| β-strand | 1156-1158 | 3 | 2 |
| α-helix | 1163-1174 | 12 | |
| α-helix | 1178-1196 | 19 | |
| α-helix | 334-368 | 35 | |
| α-helix | 373-382 | 10 | |
| α-helix | 385-400 | 16 | |
| α-helix | 402-411 | 10 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Cannabinoid receptor 1,GlgA glycogen synthase,Cannabinoid receptor 1 | A | protein | 492 | Homo sapiens, Pyrococcus abyssi (strain GE5 / Orsay) | P21554 (AlphaFold model), Q9V2J8 (AlphaFold model) |
>6KQI_1 Cannabinoid receptor 1,GlgA glycogen synthase,Cannabinoid receptor 1 (chains A) GENIQCGENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPS YHFIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTAKVGSLFLAAI DRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHID KTYLMFWIGVVSVLLLFIVYAYMYILWKAGIDCSFWNESYLTGSRDERKKSLLSKFGMDE GVTFMFIGRFDRGQKGVDVLLKAIEILSSKKEFQEMRFIIIGKGDPELEGWARSLEEKHG NVKVITEMLSREFVRELYGSVDFVIIPSYFEPFGLVALEAMCLGAIPIASAVGGLRDIIT NETGILVKAGDPGELANAILKALELSRSDLSKFRENCKKRAMSFSDQARMDIELAKTLVL ILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHA FRSMFPENLYFQ
| ID | Name | Formula | Copies |
|---|---|---|---|
| OLC | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | C21 H40 O4 | 2 |
| OLA | Oleic acid | C18 H34 O2 | 4 |
| 9GL | 5-chloro-3-ethyl-N-{2-[4-(piperidin-1-yl)phenyl]ethyl}-1H-indole-2-carboxamide | C24 H28 Cl N3 O | 1 |
| 9GF | 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)ph… | C24 H40 O3 | 1 |
Water and common crystallization additives (PEG) are not listed.
Structure of an allosteric modulator bound to the CB1 cannabinoid receptor. Shao, Z., Yan, W., Chapman, K. et al. Nat Chem Biol (2019) 15:1199-1205. DOI 10.1038/s41589-019-0387-2 · PubMed
Other PDB entries of the same protein (UniProt P21554 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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