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 | Cholesterol | Ligand Info | |||
| Canonical SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C | ||||
| InChI | 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 | ||||
| InChIKey | HVYWMOMLDIMFJA-DPAQBDIFSA-N | ||||
| PubChem Compound ID | 5997 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7DUQ Cryo-EM structure of the compound 2 and GLP-1-bound human GLP-1 receptor-Gs complex | ||||||
| Method | Electron microscopy | Resolution | 2.50 Å | Mutation | Yes | [1] |
| PDB Sequence |
TVSLWETVQK
38 WREYRRQCQR48 SLTEDPPPAT58 DLFCNRTFDE68 YACWPDGEPG78 SFVNVSCPWY 88 LPWASSVPQG98 HVYRFCTAEG108 LWLQKDNSSL118 PWRDLSECEE128 SSPEEQLLFL 144 YIIYTVGYAL154 SFSALVIASA164 ILLGFRHLHC174 TRNYIHLNLF184 ASFILRALSV 194 FIKDAALKWM204 YSTAAQQHQW214 DGLLSYQDSL224 SCRLVFLLMQ234 YCVAANYYWL 244 LVEGVYLYTL254 LAFSVLSEQW264 IFRLYVSIGW274 GVPLLFVVPW284 GIVKYLYEDE 294 GCWTRNSNMN304 YWLIIRLPIL314 FAIGVNFLIF324 VRVICIVVSK334 LKANDIKCRL 349 AKSTLTLIPL359 LGTHEVIFAF369 VMDEHARGTL379 RFIKLFTELS389 FTSFQGLMVA 399 ILYCFVNNEV409 QLEFRKSWER419 WRLE
|
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|
|
TYR145
3.283
THR149
3.480
ALA153
3.970
LEU154
3.780
PHE156
3.537
SER157
3.259
ALA158
3.916
VAL160
3.950
ILE161
3.559
ILE165
4.953
ASN182
4.937
PHE195
3.554
PHE266
4.422
ARG267
3.792
VAL270
4.221
SER271
4.626
TRP274
3.919
GLY275
4.359
LEU278
3.906
PHE321
3.587
PHE324
4.098
VAL325
4.224
ILE328
3.881
CYS329
4.147
VAL332
3.888
LYS336
3.192
LYS346
3.532
LEU349
3.831
ALA350
3.542
THR353
4.411
LEU354
3.696
ILE357
3.758
THR362
3.573
HIS363
4.215
VAL365
3.587
ILE366
3.718
PHE390
4.194
LEU396
3.656
ILE400
3.689
PHE404
3.448
VAL405
3.793
GLN410
3.439
PHE413
3.459
ARG414
4.142
|
|||||
| PDB ID: 7EVM Cryo-EM structure of the compound 2-bound human GLP-1 receptor-Gs complex | ||||||
| Method | Electron microscopy | Resolution | 2.50 Å | Mutation | Yes | [1] |
| PDB Sequence |
SPEEQLLFLY
145 IIYTVGYALS155 FSALVIASAI165 LLGFRHLHCT175 RNYIHLNLFA185 SFILRALSVF 195 IKDAALKWMY205 STAAQQHQWD215 GLLSYQDSLS225 CRLVFLLMQY235 CVAANYYWLL 245 VEGVYLYTLL255 AFSVLSEQWI265 FRLYVSIGWG275 VPLLFVVPWG285 IVKYLYEDEG 295 CWTRNSNMNY305 WLIIRLPILF315 AIGVNFLIFV325 RVICIVVSKL335 KANLTDIKCR 348 LAKSTLTLIP358 LLGTHEVIFA368 FVARGTLRFI382 KLFTELSFTS392 FQGLMVAILY 402 CFVNNEVQLE412 FRKSWERWRL422 EH
|
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|
|
THR149
4.697
ALA153
4.437
LEU154
4.445
PHE156
3.737
SER157
4.868
ALA158
2.550
VAL160
4.899
ILE161
2.796
ILE165
3.559
LEU167
4.090
TYR178
4.609
ASN182
4.198
ALA185
4.313
LEU192
4.930
PHE195
4.242
ALA199
4.941
PHE266
4.688
VAL270
4.671
PHE321
3.919
PHE324
3.641
VAL325
3.301
|
|||||
| PDB ID: 7E14 Compound2_GLP-1R_OWL833_Gs complex structure | ||||||
| Method | Electron microscopy | Resolution | 2.90 Å | Mutation | No | [1] |
| PDB Sequence |
TVSLWETVQK
38 WREYRRQCQR48 SLTEDPPPAT58 DLFCNRTFDE68 YACWPDGEPG78 SFVNVSCPWY 88 LPWASSVPQG98 HVYRFCTAEG108 LWLQKDNSSL118 PWRDLSECEE128 SSPEEQLLFL 144 YIIYTVGYAL154 SFSALVIASA164 ILLGFRHLHC174 TRNYIHLNLF184 ASFILRALSV 194 FIKDAALKWM204 YSTAAQQHQW214 DGLLSYQDSL224 SCRLVFLLMQ234 YCVAANYYWL 244 LVEGVYLYTL254 LAFSVLSEQW264 IFRLYVSIGW274 GVPLLFVVPW284 GIVKYLYEDE 294 GCWTRNSNMN304 YWLIIRLPIL314 FAIGVNFLIF324 VRVICIVVSK334 LKADIKCRLA 350 KSTLTLIPLL360 GTHEVIFAGT378 LRFIKLFTEL388 SFTSFQGLMV398 AILYCFVNNE 408 VQLEFRKSWE418 RWRLE
|
|||||
|
|
PHE156
4.500
LEU167
3.859
TYR178
4.218
LEU181
3.586
ASN182
4.204
ALA185
3.726
ILE188
3.883
LEU189
3.627
LEU192
3.762
LEU232
4.421
TYR235
3.346
CYS236
3.738
PHE266
3.197
ARG267
3.647
VAL270
4.208
SER271
3.937
TRP274
3.412
GLY275
3.976
|
|||||
| PDB ID: 7DUR Cryo-EM structure of the compound 2-bound human GLP-1 receptor-Gs complex | ||||||
| Method | Electron microscopy | Resolution | 3.30 Å | Mutation | Yes | [1] |
| PDB Sequence |
TVSLWETVQK
38 WREYRRQCQR48 SLTEDPPPFC62 NRTFDEYACW72 PDGEPGSFVN82 VSCPWYLPWA 92 SSVPQGHVYR102 FCTAEGLWLQ112 KDNSSLPWRD122 LSECEESPEE139 QLLFLYIIYT 149 VGYALSFSAL159 VIASAILLGF169 RHLHCTRNYI179 HLNLFASFIL189 RALSVFIKDA 199 ALKWMYSTAA209 QQHQWDGLLS219 YQDSLSCRLV229 FLLMQYCVAA239 NYYWLLVEGV 249 YLYTLLAFSV259 LSEQWIFRLY269 VSIGWGVPLL279 FVVPWGIVKY289 LYEDEGCWTR 299 NSNMNYWLII309 RLPILFAIGV319 NFLIFVRVIC329 IVVSKLKANL339 TDIKCRLAKS 352 TLTLIPLLGT362 HEVIFARFIK383 LFTELSFTSF393 QGLMVAILYC403 FVNNEVQLEF 413 RKSWERWRLE423 H
|
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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 .CLR or .CLR2 or .CLR3 or :3CLR;style chemicals stick;color identity;select .R:153 or .R:154 or .R:156 or .R:157 or .R:160 or .R:161 or .R:167 or .R:173 or .R:178 or .R:182 or .R:185 or .R:189 or .R:195 or .R:199 or .R:232 or .R:235 or .R:266 or .R:267 or .R:270 or .R:274 or .R:321 or .R:324 or .R:325 or .R:328 or .R:329 or .R:332 or .R:346 or .R:349 or .R:350 or .R:353 or .R:365 or .R:404 or .R:410 or .R:413 or .R:414; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA153
4.759
LEU154
4.872
PHE156
3.431
SER157
3.369
VAL160
3.618
ILE161
4.502
LEU167
3.660
HIS173
3.992
TYR178
3.462
ASN182
3.874
ALA185
4.676
LEU189
3.876
PHE195
3.450
ALA199
4.855
LEU232
3.905
TYR235
4.045
PHE266
4.399
ARG267
4.696
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor. Nat Commun. 2021 Jun 18;12(1):3763. | ||||
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