Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T36075 | Target Info | |||
| Target Name | Glucagon-like peptide 1 receptor (GLP1R) | ||||
| Synonyms | GLP-1R; GLP-1-R; GLP-1 receptor | ||||
| Target Type | Successful Target | ||||
| Gene Name | GLP1R | ||||
| Biochemical Class | GPCR secretin | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | PF-06882961 | Ligand Info | |||
| Canonical SMILES | C1CN(CCC1C2=NC(=CC=C2)OCC3=C(C=C(C=C3)C#N)F)CC4=NC5=C(N4CC6CCO6)C=C(C=C5)C(=O)O | ||||
| InChI | 1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1 | ||||
| InChIKey | HYBAKUMPISVZQP-DEOSSOPVSA-N | ||||
| PubChem Compound ID | 134611040 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6X1A Non peptide agonist PF-06882961, bound to Glucagon-Like peptide-1 (GLP-1) Receptor | ||||||
| Method | Electron microscopy | Resolution | 2.50 Å | Mutation | No | [1] |
| PDB Sequence |
ATVSLWETVQ
37 KWREYRRQCQ47 RSLTEDPPPA57 TDLFCNRTFD67 EYACWPDGEP77 GSFVNVSCPW 87 YLPWASSVPQ97 GHVYRFCTAE107 GLWLQKDNSS117 LPWRDLSECE127 ESSPEEQLLF 143 LYIIYTVGYA153 LSFSALVIAS163 AILLGFRHLH173 CTRNYIHLNL183 FASFILRALS 193 VFIKDAALKW203 MYSTAAQQHQ213 WDGLLSYQDS223 LSCRLVFLLM233 QYCVAANYYW 243 LLVEGVYLYT253 LLAFSVFSEQ263 WIFRLYVSIG273 WGVPLLFVVP283 WGIVKYLYED 293 EGCWTRNSNM303 NYWLIIRLPI313 LFAIGVNFLI323 FVRVICIVVS333 KLKANLMCKT 343 DIKCRLAKST353 LTLIPLLGTH363 EVIFAFVMDE373 HARGTLRFIK383 LFTELSFTSF 393 QGLMVAILYC403 FVNNEVQLEF413 RKSWERWRLE423
|
|||||
|
|
SER31
3.582
LEU32
3.570
TRP33
3.571
VAL36
3.614
GLN37
3.398
GLU138
4.582
LEU141
3.612
LYS197
3.076
LEU201
3.648
TRP203
3.307
SER206
3.569
THR207
3.696
LEU217
3.883
LEU218
4.002
|
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| PDB ID: 7LCJ PF 06882961 bound to the glucagon-like peptide-1 receptor (GLP-1R):Gs complex | ||||||
| Method | Electron microscopy | Resolution | 2.82 Å | Mutation | No | [2] |
| PDB Sequence |
ATVSLWETVQ
37 KWREYRRQCQ47 RSLTEDPPPA57 TDLFCNRTFD67 EYACWPDGEP77 GSFVNVSCPW 87 YLPWASSVPQ97 GHVYRFCTAE107 GLWLQKDNSS117 LPWRDLSECE127 ESSPEEQLLF 143 LYIIYTVGYA153 LSFSALVIAS163 AILLGFRHLH173 CTRNYIHLNL183 FASFILRALS 193 VFIKDAALKW203 MYSTAAQQHQ213 WDGLLSYQDS223 LSCRLVFLLM233 QYCVAANYYW 243 LLVEGVYLYT253 LLAFSVFSEQ263 WIFRLYVSIG273 WGVPLLFVVP283 WGIVKYLYED 293 EGCWTRNSNM303 NYWLIIRLPI313 LFAIGVNFLI323 FVRVICIVVS333 KLKANLMCKT 343 DIKCRLAKST353 LTLIPLLGTH363 EVIFAFVMDE373 HARGTLRFIK383 LFTELSFTSF 393 QGLMVAILYC403 FVNNEVQLEF413 RKSWERWRLE423
|
|||||
|
|
SER31
3.453
LEU32
3.776
TRP33
3.673
VAL36
3.909
GLN37
3.200
GLU138
4.844
LEU141
3.895
LYS197
3.285
LEU201
3.699
TRP203
3.348
SER206
4.139
THR207
3.886
LEU217
4.117
|
|||||
| PDB ID: 7LCI PF 06882961 bound to the glucagon-like peptide-1 receptor (GLP-1R):Gs complex | ||||||
| Method | Electron microscopy | Resolution | 2.90 Å | Mutation | Yes | [2] |
| PDB Sequence |
ATVSLWETVQ
37 KWREYRRQCQ47 RSLTEDPPPA57 TDLFCNRTFD67 EYACWPDGEP77 GSFVNVSCPW 87 YLPWASSVPQ97 GHVYRFCTAE107 GLWLQKDLPW120 RDLSECEESK130 RGERSSPEEQ 140 LLFLYIIYTV150 GYALSFSALV160 IASAILLGFR170 HLHCTRNYIH180 LNLFASFILR 190 ALSVFIKDAA200 LKWMYSTAAQ210 QHQWDGLLSY220 QDSLSCRLVF230 LLMQYCVAAN 240 YYWLLVEGVY250 LYTLLAFSVF260 SEQWIFRLYV270 SIGWGVPLLF280 VVPWGIVKYL 290 YEDEGCWTRN300 SNMNYWLIIR310 LPILFAIGVN320 FLIFVRVICI330 VVSKLKANLM 340 CKTDIKCRLA350 KSTLTLIPLL360 GTHEVIFAFV370 MDEHARGTLR380 FIKLFTELSF 390 TSFQGLMVAI400 LYCFVNNEVQ410 LEFRKSWERW420 RLE
|
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|
|
SER31
3.210
LEU32
3.633
TRP33
3.612
VAL36
3.600
GLN37
3.309
GLU138
3.951
LEU141
3.656
LYS197
3.082
LEU201
3.841
TRP203
3.152
SER206
3.374
THR207
3.713
LEU217
3.446
|
|||||
| PDB ID: 7LCK PF 06882961 bound to the glucagon-like peptide-1 receptor (GLP-1R) | ||||||
| Method | Electron microscopy | Resolution | 3.24 Å | Mutation | No | [2] |
| PDB Sequence |
ATVSLWETVQ
37 KWREYRRQCQ47 RSLTEDPPPA57 TDLFCNRTFD67 EYACWPDGEP77 GSFVNVSCPW 87 YLPWASSVPQ97 GHVYRFCTAE107 GLWLQKDNSS117 LPWRDLSECE127 ESSPEEQLLF 143 LYIIYTVGYA153 LSFSALVIAS163 AILLGFRHLH173 CTRNYIHLNL183 FASFILRALS 193 VFIKDAALKW203 MYSTAAQQHQ213 WDGLLSYQDS223 LSCRLVFLLM233 QYCVAANYYW 243 LLVEGVYLYT253 LLAFSVFSEQ263 WIFRLYVSIG273 WGVPLLFVVP283 WGIVKYLYED 293 EGCWTRNSNM303 NYWLIIRLPI313 LFAIGVNFLI323 FVRVICIVVS333 KLKANLMCKT 343 DIKCRLAKST353 LTLIPLLGTH363 EVIFAFVMDE373 HARGTLRFIK383 LFTELSFTSF 393 QGLMVAILYC403 FVNNEVQLEF413 RKSWERWRLE423
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UK4 or .UK42 or .UK43 or :3UK4;style chemicals stick;color identity;select .R:31 or .R:32 or .R:33 or .R:36 or .R:37 or .R:138 or .R:141 or .R:197 or .R:198 or .R:201 or .R:203 or .R:206 or .R:207 or .R:217 or .R:218 or .R:221 or .R:226 or .R:230 or .R:233 or .R:234 or .R:296 or .R:298 or .R:299 or .R:378 or .R:380 or .R:381 or .R:384 or .R:385; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER31
3.271
LEU32
3.635
TRP33
3.599
VAL36
3.860
GLN37
3.226
GLU138
4.655
LEU141
3.602
LYS197
3.362
ASP198
4.844
LEU201
3.764
TRP203
3.606
SER206
3.636
THR207
3.897
LEU217
4.142
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Differential GLP-1R Binding and Activation by Peptide and Non-peptide Agonists. Mol Cell. 2020 Nov 5;80(3):485-500.e7. | ||||
| REF 2 | Evolving cryo-EM structural approaches for GPCR drug discovery. Structure. 2021 Sep 2;29(9):963-974.e6. | ||||
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