XFEL MT1R structure by ligand exchange from agomelatine to 2-phenylmelatonin. Determined by X-ray diffraction at 3.3 Å resolution. Released 13 Nov 2019.
Explore 6PS8 in 3D Show helices and sheets RCSB PDB PDBe
6PS8 contains 26 α-helices and 10 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 | 25-54 | 30 | |
| α-helix | 61-63 | 3 | |
| α-helix | 64-75 | 12 | |
| α-helix | 80-90 | 11 | |
| α-helix | 97-134 | 38 | |
| α-helix | 144-159 | 16 | |
| α-helix | 161-165 | 5 | |
| β-strand | 168-171 | 4 | 1 |
| β-strand | 176-179 | 4 | 1 |
| α-helix | 185-192 | 8 | |
| α-helix | 193-197 | 5 | |
| α-helix | 198-218 | 21 | |
| α-helix | 1016-1027 | 12 | |
| β-strand | 1033-1038 | 6 | 2 |
| β-strand | 1041 | 1 | 3 |
| α-helix | 1048-1059 | 12 | |
| α-helix | 1062-1066 | 5 | |
| β-strand | 1067-1072 | 6 | 2 |
| β-strand | 1075 | 1 | 3 |
| α-helix | 1077-1089 | 13 | |
| β-strand | 1093-1096 | 4 | 2 |
| α-helix | 1102-1111 | 10 | |
| β-strand | 1114-1117 | 4 | 2 |
| α-helix | 1126-1133 | 8 | |
| α-helix | 1136 | 1 | |
| β-strand | 1137-1141 | 5 | 2 |
| α-helix | 1146-1149 | 4 | |
| β-strand | 1156-1158 | 3 | 2 |
| α-helix | 1163-1174 | 12 | |
| α-helix | 1178-228 | 20 | |
| α-helix | 235-263 | 29 | |
| α-helix | 265-271 | 7 | |
| α-helix | 274-286 | 13 | |
| α-helix | 287-289 | 3 | |
| α-helix | 290-298 | 9 | |
| α-helix | 300-313 | 14 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Fusion protein of Melatonin receptor type 1A and GlgA glycogen synthase | A | protein | 503 | Homo sapiens, Pyrococcus abyssi (strain GE5 / Orsay) | P48039 (AlphaFold model), Q9V2J8 (AlphaFold model) |
>6PS8_1 Fusion protein of Melatonin receptor type 1A and GlgA glycogen synthase (chains A) GTSQPVLRGDGARPSWLASALACVLIFTIVVDILGNLLVILSVYRNKKLRNAGNIFVVSL AVANLVVAIYPYPLVLMSIFNNGWNFGYLHCQVSAFLMGLSVIGSIWNITGIAIDRYLYI CHSLKYDKLYSSKNSLCYVLLIWLLTLAAVLPNLRAGTLQYDPRIYSCTFAQSVSSAYTI AVVVFHFLVPMIIVIFCYLRIWILVLQVRGIDCSFWNESYLTGSRDERKKSLLSKFGMDE GVTFMFIGRFDRGQKGVDVLLKAIEILSSKKEFQEMRFIIIGKGDPELEGWARSLEEKHG NVKVITEMLSREFVRELYGSVDFVIIPSYFEPFGLVALEAMCLGAIPIASAVGGLRDIIT NETGILVKAGDPGELANAILKALELSRSDLSKFRENCKKRAMSFSKLKPQDFRNFVTMFV VFVLFAICFAPLNFIGLAVASDPASMVPRIPEWLFVASYYMAYFNSCLNPIIYGLLDQNF RKEYRRIIVSLCTARVFFVDSSN
| ID | Name | Formula | Copies |
|---|---|---|---|
| JEY | N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide | C19 H20 N2 O2 | 1 |
Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Ishchenko, A., Stauch, B., Han, G.W. et al. IUCrJ (2019) 6:1106-1119. DOI 10.1107/S2052252519013137 · PubMed
Other PDB entries of the same protein (UniProt P48039 (AlphaFold model), which also has an AlphaFold model), best resolution first:
MolViewer shows 6PS8 directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.