Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T86273 | Target Info | |||
| Target Name | G-protein coupled bile acid receptor 1 (GPBAR1) | ||||
| Synonyms | hGPCR19; hBG37; TGR5; Membrane-type receptor for bile acids; M-BAR; G-protein coupled receptor GPCR19; BG37 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | GPBAR1 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Cholesterol | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the P395-bound GPBAR-Gs complex | PDB:7CFM | ||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | Yes | [1] |
| PDB Sequence |
LSLALASLII
29 TANLLLALGI39 AWDRRLRSPP49 AGCFFLSLLL59 AGLLTGLALP69 TLPGLWNQSR 79 RGYWSCLLVY89 LAPNFSFLSL99 LANLLLVHGE109 RYMAVLRPLQ119 PPGSIRLALL 129 LTWAGPLLFA139 SLPALGWNHW149 TPGANCSSQA159 IFPAPYLYLE169 VYGLLLPAVG 179 AAAFLSVRVL189 ATAHRQLQDI199 CRLERAVCRD209 EPSALARALT219 WRQARAQAGA 229 MLLFGLCWGP239 YVATLLLSVL249 AYEQRPPLGP259 GTLLSLLSLG269 SASAAAVPVA 279 MGLGDQRYTA289 PWR
|
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PHE53
4.819
ALA101
3.433
LEU104
3.705
LEU105
3.296
GLY108
3.801
GLU109
3.252
MET112
3.177
GLN119
4.823
PRO120
4.805
PRO121
3.664
ALA127
4.643
LEU130
3.569
THR131
3.883
PRO135
4.603
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: INT-777 | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the INT-777-bound GPBAR-Gs complex | PDB:7CFN | ||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | Yes | [1] |
| PDB Sequence |
LGLSLALASL
27 IITANLLLAL37 GIAWDRRLRS47 PPAGCFFLSL57 LLAGLLTGLA67 LPTLPGLWNQ 77 SRRGYWSCLL87 VYLAPNFSFL97 SLLANLLLVH107 GERYMAVLRP117 LQPPGSIRLA 127 LLLTWAGPLL137 FASLPALGWN147 HWTPGANCSS157 QAIFPAPYLY167 LEVYGLLLPA 177 VGAAAFLSVR187 VLATAHRQLQ197 DICRLERAVC207 RDEPSALARA217 LTWRQARAQA 227 GAMLLFGLCW237 GPYVATLLLS247 VLAYEQRPPL257 GPGTLLSLLS267 LGSASAAAVP 277 VAMGLGDQRY287 TAPW
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PHE53
4.016
LEU71
3.959
LEU74
2.981
TRP75
3.799
TYR89
3.643
PRO92
4.042
ASN93
3.784
PHE96
3.820
LEU97
4.902
ALA101
3.858
LEU104
3.782
LEU105
3.156
GLY108
4.743
GLU109
3.692
MET112
3.257
PRO121
4.180
GLY122
3.976
ALA127
4.372
LEU130
3.246
|
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| Ligand Name: 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the P395-bound GPBAR-Gs complex | PDB:7CFM | ||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | Yes | [1] |
| PDB Sequence |
LSLALASLII
29 TANLLLALGI39 AWDRRLRSPP49 AGCFFLSLLL59 AGLLTGLALP69 TLPGLWNQSR 79 RGYWSCLLVY89 LAPNFSFLSL99 LANLLLVHGE109 RYMAVLRPLQ119 PPGSIRLALL 129 LTWAGPLLFA139 SLPALGWNHW149 TPGANCSSQA159 IFPAPYLYLE169 VYGLLLPAVG 179 AAAFLSVRVL189 ATAHRQLQDI199 CRLERAVCRD209 EPSALARALT219 WRQARAQAGA 229 MLLFGLCWGP239 YVATLLLSVL249 AYEQRPPLGP259 GTLLSLLSLG269 SASAAAVPVA 279 MGLGDQRYTA289 PWR
|
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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 .FWX or .FWX2 or .FWX3 or :3FWX;style chemicals stick;color identity;select .R:71 or .R:74 or .R:75 or .R:89 or .R:92 or .R:93 or .R:96 or .R:97 or .R:157 or .R:161 or .R:166 or .R:169 or .R:170 or .R:174 or .R:240 or .R:244 or .R:247 or .R:248 or .R:251 or .R:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [2-(2,5-Dichloro-phenoxy)-pyridin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)-methanone | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the R399-bound GPBAR-Gs complex | PDB:7XTQ | ||||
| Method | Electron microscopy | Resolution | 3.20 Å | Mutation | Yes | [2] |
| PDB Sequence |
LSLALASLII
29 TANLLLALGI39 AWDRRLRSPP49 AGCFFLSLLL59 AGLLTGLALP69 TLPGLWNQSR 79 RGYWSCLLVY89 LAPNFSFLSL99 LANLLLVHGE109 RYMAVLRPLQ119 PPGSIRLALL 129 LTWAGPLLFA139 SLPALGWNHW149 TPGANCSSQA159 IFPAPYLYLE169 VYGLLLPAVG 179 AAAFLSVRVL189 ATAHRQLQDI199 CRLERAVCRD209 EPSALARALT219 WRQARAQAGA 229 MLLFGLCWGP239 YVATLLLSVL249 AYEQRPPLGP259 GTLLSLLSLG269 SASAAAVPVA 279 MGLGDQRYTA289 PWR
|
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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 .H8I or .H8I2 or .H8I3 or :3H8I;style chemicals stick;color identity;select .R:71 or .R:74 or .R:75 or .R:89 or .R:92 or .R:93 or .R:96 or .R:97 or .R:157 or .R:161 or .R:166 or .R:169 or .R:170 or .R:174 or .R:240 or .R:243 or .R:244 or .R:247 or .R:251 or .R:266 or .R:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU71
3.233
LEU74
2.547
TRP75
3.786
TYR89
4.105
PRO92
4.546
ASN93
3.986
PHE96
3.635
LEU97
4.547
SER157
4.033
PHE161
3.693
LEU166
3.179
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis of GPBAR activation and bile acid recognition. Nature. 2020 Nov;587(7834):499-504. | ||||
| REF 2 | Structural basis and molecular mechanism of biased GPBAR signaling in regulating NSCLC cell growth via YAP activity. Proc Natl Acad Sci U S A. 2022 Jul 19;119(29):e2117054119. | ||||
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