Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T59604 | Target Info | |||
| Target Name | Growth hormone secretagogue receptor 1 (GHSR) | ||||
| Synonyms | Growth hormone secretagogue receptor; Ghrelin receptor; GHSR; GHS-R; GHRP; GH-releasing peptide receptor | ||||
| Target Type | Successful Target | ||||
| Gene Name | GHSR | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| 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: 7NA7 Structures of human ghrelin receptor-Gi complexes with ghrelin and a synthetic agonist | ||||||
| Method | Electron microscopy | Resolution | 2.70 Å | Mutation | Yes | [1] |
| PDB Sequence |
PAPLLAGVTA
48 TCVALFVVGI58 AGNLLTMLVV68 SRFRELRTTT78 NLYLSSMAFS88 DLLIFLCMPL 98 DLVRLWQYRP108 WNFGDLLCKL118 FQFVSESCTY128 AKVLTITALS138 VERYFAICFP 148 LRAKVVVTKG158 RVKLVIFVIW168 AVAFCSAGPI178 FVLVGVEHEQ188 GTDPWDTNEC 198 RPTEFAVRSG208 LLTVMVWVSS218 IFFFLPVFCL228 TVLYSLIGRK238 LWRRRDQNHK 259 QTVKMLAVVV269 FAFILCWLPF279 HVGRYLFSKS289 FEPGSLEIAQ299 ISQYCNLVSF 309 VLFYLSAAIN319 PILYNIMSKK329 YRVAVFRLLG339 F
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LEU80
3.910
TYR81
4.364
SER83
4.041
SER84
3.311
PHE87
3.542
LEU91
3.585
VAL122
4.919
LEU132
3.792
THR135
3.817
ALA136
3.721
VAL139
3.539
|
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| PDB ID: 7NA8 Structures of human ghrelin receptor-Gi complexes with ghrelin and a synthetic agonist | ||||||
| Method | Electron microscopy | Resolution | 2.70 Å | Mutation | No | [1] |
| PDB Sequence |
PAPLLAGVTA
48 TCVALFVVGI58 AGNLLTMLVV68 SRFRELRTTT78 NLYLSSMAFS88 DLLIFLCMPL 98 DLVRLWQPWN110 FGDLLCKLFQ120 FVSESCTYAK130 VLTITALSVE140 RYFAICFPLR 150 AKVVVTKGRV160 KLVIFVIWAV170 AFCSAGPIFV180 LVGVEHEPWD194 TNECRPTEFA 204 VRSGLLTVMV214 WVSSIFFFLP224 VFCLTVLYSL234 IGRKLWRRRD255 QNHKQTVKML 265 AVVVFAFILC275 WLPFHVGRYL285 FSKSFEPGSL295 EIAQISQYCN305 LVSFVLFYLS 315 AAINPILYNI325 MSKKYRVAVF335 RLLGF
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| PDB ID: 7W2Z Cryo-EM structure of the ghrelin-bound human ghrelin receptor-Go complex | ||||||
| Method | Electron microscopy | Resolution | 2.80 Å | Mutation | Yes | [2] |
| PDB Sequence |
LQLFPAPLLA
44 GVTATCVALF54 VVGIAGNLLT64 MLVVSRFREL74 RTTTNLYLSS84 MAFSDLLIFL 94 CMPLDLVRLW104 QYRPWNFGDL114 LCKLFQFVSE124 SCTYATVLTI134 TALSVERYFA 144 ICFPLRAKVV154 VTKGRVKLVI164 FVIWAVAFCS174 AGPIFVLVGV184 EHENGTDPWD 194 TNECRPTEFA204 VRSGLLTVMV214 WVSSIFFFLP224 VFCLTVLYSL234 IGRKLWRRRR 244 GSLRDQNHKQ260 TVKMLAVVVF270 AFILCWLPFH280 VGRYLFSKSF290 EPGSLEIAQI 300 SQYCNLVSFV310 LFYLSAAINP320 ILYNIMSKKY330 RVAVFRLLGF340 E |
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LEU80
3.809
TYR81
3.065
SER83
4.082
SER84
4.010
PHE87
2.927
LEU91
3.863
LEU132
3.907
THR135
3.268
ALA136
2.893
VAL139
2.541
GLU140
3.580
LYS152
4.871
|
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| PDB ID: 7F9Y ghrelin-bound ghrelin receptor in complex with Gq | ||||||
| Method | Electron microscopy | Resolution | 2.90 Å | Mutation | No | [3] |
| PDB Sequence |
LQLFPAPLLA
44 GVTATCVALF54 VVGIAGNLLT64 MLVVSRFREL74 RTTTNLYLSS84 MAFSDLLIFL 94 CMPLDLVRLW104 QYRPWNFGDL114 LCKLFQFVSE124 SCTYATVLTI134 TALSVERYFA 144 ICFPLRAKVV154 VTKGRVKLVI164 FVIWAVAFCS174 AGPIFVLVGV184 EHENGTDPWD 194 TNECRPTEFA204 VRSGLLTVMV214 WVSSIFFFLP224 VFCLTVLYSL234 IGRKLWRNHK 259 QTVKMLAVVV269 FAFILCWLPF279 HVGRYLFSKS289 FEPGSLEIAQ299 ISQYCNLVSF 309 VLFYLSAAIN319 PILYNIMSKK329 YRVAV
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Click to Show 3D Structure of This Binding Site
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis of human ghrelin receptor signaling by ghrelin and the synthetic agonist ibutamoren. doi:10.1038/s41467-021-26735-5. | ||||
| REF 2 | Molecular mechanism of agonism and inverse agonism in ghrelin receptor. Nat Commun. 2022 Jan 13;13(1):300. | ||||
| REF 3 | Molecular recognition of an acyl-peptide hormone and activation of ghrelin receptor. Nat Commun. 2021 Aug 20;12(1):5064. | ||||
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