Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T60182 | Target Info | |||
| Target Name | Glucagon receptor (GCGR) | ||||
| Synonyms | GLR; GL-R | ||||
| Target Type | Successful Target | ||||
| Gene Name | GCGR | ||||
| Biochemical Class | GPCR secretin | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Oleic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the human glucagon receptor (GCGR) in complex with the antagonist MK-0893 | PDB:5EE7 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [1] |
| PDB Sequence |
YSSFQVMYTV
147 GYSLSLAALL157 LALAILGGLS167 KLHCTANAIH177 ANLFLSFVLK187 ASAVLFIDGL 197 LRTVSTWLSD218 GAVAACRVAA228 VFMQYGIVAN238 YCWLLVEGLY248 LHNLLGLNIF 1002 EMLRIDEGLR1012 LKIYKDYYTI1025 GIGHLLTKSP1035 SLNAAKSELD1045 KAIGRNTNGV 1055 ITKDEAEKLF1065 NQDVDAAVRG1075 ILRNAKLKPV1085 YDSLDAVRRA1095 ALINMVFQMG 1105 ETGVAGFTNS1115 LRMLQQKRWD1125 EAAVNLAKSR1135 WYNQTPNRAK1145 RVITTFRTGT 1155 WDAYPERSFF264 SLYLGIGWGA274 PALFVVPWAV284 VKCLFENVQC294 WTNMGFWWIL 307 RFPVFLAILI317 NFFIFVRIVQ327 LLVAKLRARQ337 MHHTDYAFRL347 AKSTLTLIPL 357 LGVHFVVFAF367 VTDEHRSAKL382 FFDLALSSFQ392 GLLVAVLYCF402 LNKEVQSELR 412 RRWHRA
|
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SER139
4.683
GLN142
3.941
VAL143
3.856
THR146
3.642
VAL147
3.849
SER150
3.289
LEU151
4.376
LEU153
3.841
LEU157
3.951
LEU160
3.804
ALA161
4.475
HIS170
4.607
CYS171
3.604
THR172
3.092
ALA175
3.799
ASN179
3.315
LEU182
3.805
VAL185
3.857
LEU186
4.804
SER189
3.224
LEU192
3.849
PHE193
3.845
LEU197
3.903
ARG199
4.469
THR200
4.794
SER217
4.093
ASP218
3.661
GLY219
4.312
ALA220
3.867
VAL221
3.750
ALA222
3.783
ALA223
4.092
ARG225
3.590
VAL226
3.838
VAL229
3.907
TYR233
4.020
HIS250
2.723
PHE264
3.596
SER265
4.093
LEU268
3.254
GLY269
4.203
TRP272
3.730
GLY273
4.105
ALA276
4.696
VAL280
3.763
ALA283
4.082
TRP295
3.946
LEU313
3.845
LEU316
4.225
ILE317
3.614
PHE320
3.803
ILE321
4.668
PHE322
3.993
ARG324
2.870
VAL326
3.928
LEU328
4.337
LEU329
4.322
VAL330
4.677
LEU333
4.562
PHE345
3.570
LEU352
3.501
THR353
4.575
PRO356
4.190
LEU357
4.123
HIS361
2.570
ALA380
3.576
LYS381
3.714
PHE384
4.050
ASP385
3.138
LEU388
3.139
SER389
4.197
PHE391
3.457
GLN392
3.973
LEU394
3.744
LEU395
4.170
VAL398
4.364
ASP1157
4.441
|
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| Ligand Name: Alpha-Aminoisobutyric Acid | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GCGR-Gs complex | PDB:7V35 | ||||
| Method | Electron microscopy | Resolution | 3.50 Å | Mutation | Yes | [2] |
| PDB Sequence |
QVMDFLFEKW
36 KLYGDQCHHN46 LSLLPPPTEL56 VCNRTFDKYS66 CWPDTPANTT76 ANISCPWYLP 86 WHHKVQHRFV96 FKRCGQWVRG109 PRGQPWRDAS119 QCQMDGEEIE129 VQKEVAKMYS 139 SFQVMYTVGY149 SLSLGALLLA159 LAILGGLSKL169 HCTRNAIHAN179 LFASFVLKAS 189 SVLVIDGLLR199 TRYSQKIGDD209 LSVSTWLSDG219 AVAGCRVAAV229 FMQYGIVANY 239 CWLLVEGLYL249 HNLLGLATLP259 ERSFFSLYLG269 IGWGAPMLFV279 VPWAVVKCLF 289 ENVQCWTSND299 NMGFWWILRF309 PVFLAILINF319 FIFVRIVQLL329 VAKLRARQMH 339 HTDYKFRLAK349 STLTLIPLLG359 VHEVVFAFVT369 DEHAQGTLRS379 AKLFFDLFLS 389 SFQGLLVAVL399 YCFLNKEVQS409 ELRRRWHRWR419 LG
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| Ligand Name: (S)-3-(4-(1-(3-(3,5-Dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl)ethyl)benzamido)propanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the human glucagon receptor (GCGR) in complex with the antagonist MK-0893 | PDB:5EE7 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [1] |
| PDB Sequence |
YSSFQVMYTV
147 GYSLSLAALL157 LALAILGGLS167 KLHCTANAIH177 ANLFLSFVLK187 ASAVLFIDGL 197 LRTVSTWLSD218 GAVAACRVAA228 VFMQYGIVAN238 YCWLLVEGLY248 LHNLLGLNIF 1002 EMLRIDEGLR1012 LKIYKDYYTI1025 GIGHLLTKSP1035 SLNAAKSELD1045 KAIGRNTNGV 1055 ITKDEAEKLF1065 NQDVDAAVRG1075 ILRNAKLKPV1085 YDSLDAVRRA1095 ALINMVFQMG 1105 ETGVAGFTNS1115 LRMLQQKRWD1125 EAAVNLAKSR1135 WYNQTPNRAK1145 RVITTFRTGT 1155 WDAYPERSFF264 SLYLGIGWGA274 PALFVVPWAV284 VKCLFENVQC294 WTNMGFWWIL 307 RFPVFLAILI317 NFFIFVRIVQ327 LLVAKLRARQ337 MHHTDYAFRL347 AKSTLTLIPL 357 LGVHFVVFAF367 VTDEHRSAKL382 FFDLALSSFQ392 GLLVAVLYCF402 LNKEVQSELR 412 RRWHRA
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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 .5MV or .5MV2 or .5MV3 or :35MV;style chemicals stick;color identity;select .A:329 or .A:345 or .A:346 or .A:347 or .A:348 or .A:349 or .A:350 or .A:352 or .A:353 or .A:399 or .A:403 or .A:404 or .A:405 or .A:406; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3,6,9,12,15,18,21,24-Octaoxahexacosan-1-OL | Ligand Info | |||||
| Structure Description | Crystal structure of the human glucagon receptor (GCGR) in complex with the antagonist MK-0893 | PDB:5EE7 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [1] |
| PDB Sequence |
YSSFQVMYTV
147 GYSLSLAALL157 LALAILGGLS167 KLHCTANAIH177 ANLFLSFVLK187 ASAVLFIDGL 197 LRTVSTWLSD218 GAVAACRVAA228 VFMQYGIVAN238 YCWLLVEGLY248 LHNLLGLNIF 1002 EMLRIDEGLR1012 LKIYKDYYTI1025 GIGHLLTKSP1035 SLNAAKSELD1045 KAIGRNTNGV 1055 ITKDEAEKLF1065 NQDVDAAVRG1075 ILRNAKLKPV1085 YDSLDAVRRA1095 ALINMVFQMG 1105 ETGVAGFTNS1115 LRMLQQKRWD1125 EAAVNLAKSR1135 WYNQTPNRAK1145 RVITTFRTGT 1155 WDAYPERSFF264 SLYLGIGWGA274 PALFVVPWAV284 VKCLFENVQC294 WTNMGFWWIL 307 RFPVFLAILI317 NFFIFVRIVQ327 LLVAKLRARQ337 MHHTDYAFRL347 AKSTLTLIPL 357 LGVHFVVFAF367 VTDEHRSAKL382 FFDLALSSFQ392 GLLVAVLYCF402 LNKEVQSELR 412 RRWHRA
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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 .PE5 or .PE52 or .PE53 or :3PE5;style chemicals stick;color identity;select .A:138 or .A:141 or .A:145 or .A:149 or .A:184 or .A:187 or .A:191 or .A:194 or .A:195 or .A:199 or .A:231 or .A:235 or .A:238 or .A:239 or .A:296 or .A:300 or .A:301 or .A:302 or .A:303 or .A:361 or .A:362 or .A:365 or .A:386 or .A:389 or .A:392; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR138
4.797
PHE141
3.941
TYR145
3.381
TYR149
3.407
PHE184
3.962
LYS187
3.237
VAL191
3.719
ILE194
3.675
ASP195
4.151
ARG199
2.863
MET231
4.370
ILE235
3.571
ASN238
3.163
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| Ligand Name: Palmitoyl glutamic acid | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GCGR-Gs complex | PDB:7V35 | ||||
| Method | Electron microscopy | Resolution | 3.50 Å | Mutation | Yes | [2] |
| PDB Sequence |
QVMDFLFEKW
36 KLYGDQCHHN46 LSLLPPPTEL56 VCNRTFDKYS66 CWPDTPANTT76 ANISCPWYLP 86 WHHKVQHRFV96 FKRCGQWVRG109 PRGQPWRDAS119 QCQMDGEEIE129 VQKEVAKMYS 139 SFQVMYTVGY149 SLSLGALLLA159 LAILGGLSKL169 HCTRNAIHAN179 LFASFVLKAS 189 SVLVIDGLLR199 TRYSQKIGDD209 LSVSTWLSDG219 AVAGCRVAAV229 FMQYGIVANY 239 CWLLVEGLYL249 HNLLGLATLP259 ERSFFSLYLG269 IGWGAPMLFV279 VPWAVVKCLF 289 ENVQCWTSND299 NMGFWWILRF309 PVFLAILINF319 FIFVRIVQLL329 VAKLRARQMH 339 HTDYKFRLAK349 STLTLIPLLG359 VHEVVFAFVT369 DEHAQGTLRS379 AKLFFDLFLS 389 SFQGLLVAVL399 YCFLNKEVQS409 ELRRRWHRWR419 LG
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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 .D6M or .D6M2 or .D6M3 or :3D6M;style chemicals stick;color identity;select .R:135 or .R:138 or .R:139 or .R:142 or .R:143 or .R:146 or .R:189 or .R:192 or .R:193 or .R:196 or .R:199; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-{[(4-Cyclohexylphenyl){[3-(Methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1h-Tetrazol-5-Yl)benzamide | Ligand Info | |||||
| Structure Description | Structure of the Full-length glucagon class B G protein-coupled receptor | PDB:5XEZ | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | Yes | [3] |
| PDB Sequence |
QVMDFLFEKW
36 KLYGDQCHHN46 LSLLPPPTEL56 VCNRTFDKYS66 CWPDTPANTT76 ANISCPWYLP 86 WHHKVQHRFV96 FKRCGPDGQW106 VRGPRGQPWR116 DASQCQMDGE126 EIEVQKEVAK 136 MYSSFQVMYT146 VGYSLSLGAL156 LLALAILGGL166 SKLHCTRNAI176 HANLFASFVL 186 KASSVLVIDG196 LLRTRYSQKI206 GDDLSVSTWL216 SDGAVAGCRV226 AAVFMQYGIV 236 ANYCWLLVEG246 LYLHNLLGLA256 NIFEMLRIDE1011 GLRLKIYKDT1021 EGYYTIGIGH 1031 LLTKSPSLNA1041 AKSELDKAIG1051 RNITKDEAEK1065 LFNQDVDAAV1075 RGILRNAKLK 1085 PVYDSLDAVR1095 RAALINMVFQ1105 MGETGVAGFT1115 NSLRMLQQKR1125 WDEAAVNLAK 1135 SRWYNQTPNR1145 AKRVITTFRT1155 GTWDAYERSF263 FSLYLGIGWG273 APMLFVVPWA 283 VVKCLFENVQ293 CWTSNDNMGF303 WWILRFPVFL313 AILINFFIFV323 RIVQLLVAKL 333 RARQMHHTDY343 KFRLAKSTLT353 LIPLLGVHEV363 VFAFVTDEHA373 QGTLRSAKLF 383 FDLFLSSFQG393 LLVAVLYCFL403 NKEVQSELRR413 RWHRW
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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 .97V or .97V2 or .97V3 or :397V;style chemicals stick;color identity;select .A:346 or .A:347 or .A:348 or .A:349 or .A:350 or .A:352 or .A:353 or .A:357 or .A:395 or .A:399 or .A:400 or .A:403 or .A:404 or .A:405; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Extra-helical binding site of a glucagon receptor antagonist. Nature. 2016 May 12;533(7602):274-7. | ||||
| REF 2 | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors. Nat Commun. 2022 Feb 25;13(1):1057. | ||||
| REF 3 | Structure of the full-length glucagon class B G-protein-coupled receptor. Nature. 2017 Jun 8;546(7657):259-264. | ||||
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