Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Ibutamoren | Ligand Info | |||||
| Structure Description | Structures of human ghrelin receptor-Gi complexes with ghrelin and a synthetic agonist | PDB:7NA8 | ||||
| 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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ASP99
2.839
ARG102
2.909
LEU103
3.236
PHE119
4.197
GLN120
2.902
SER123
3.387
GLU124
3.262
TYR128
4.955
ILE178
3.396
LEU181
3.957
VAL182
4.912
CYS198
4.662
PRO200
4.672
|
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| Ligand Name: Cholesterol | Ligand Info | |||||
| Structure Description | Structures of human ghrelin receptor-Gi complexes with ghrelin and a synthetic agonist | PDB:7NA7 | ||||
| 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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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Caprylic acid | Ligand Info | |||||
| Structure Description | ghrelin-bound ghrelin receptor in complex with Gq | PDB:7F9Y | ||||
| Method | Electron microscopy | Resolution | 2.90 Å | Mutation | No | [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 IGRKLWRNHK 259 QTVKMLAVVV269 FAFILCWLPF279 HVGRYLFSKS289 FEPGSLEIAQ299 ISQYCNLVSF 309 VLFYLSAAIN319 PILYNIMSKK329 YRVAV
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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 .OCA or .OCA2 or .OCA3 or :3OCA;style chemicals stick;color identity;select .R:102 or .R:120 or .R:124 or .R:128 or .R:174 or .R:178 or .R:181 or .R:182 or .R:200 or .R:212 or .R:213 or .R:217 or .R:283; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: O-octanoyl-D-serine | Ligand Info | |||||
| Structure Description | Structures of human ghrelin receptor-Gi complexes with ghrelin and a synthetic agonist | PDB:7NA7 | ||||
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1IC or .1IC2 or .1IC3 or :31IC;style chemicals stick;color identity;select .R:120 or .R:124 or .R:128 or .R:174 or .R:175 or .R:178 or .R:181 or .R:200 or .R:210 or .R:213 or .R:214 or .R:217 or .R:283 or .R:286 or .R:301 or .R:305; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: [(2~{S})-2-azanyl-3-oxidanylidene-propyl] octanoate | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the ghrelin-bound human ghrelin receptor-Go complex | PDB:7W2Z | ||||
| Method | Electron microscopy | Resolution | 2.80 Å | Mutation | Yes | [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 IGRKLWRRRR 244 GSLRDQNHKQ260 TVKMLAVVVF270 AFILCWLPFH280 VGRYLFSKSF290 EPGSLEIAQI 300 SQYCNLVSFV310 LFYLSAAINP320 ILYNIMSKKY330 RVAVFRLLGF340 E |
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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 .K4Q or .K4Q2 or .K4Q3 or :3K4Q;style chemicals stick;color identity;select .R:102 or .R:120 or .R:124 or .R:178 or .R:181 or .R:210 or .R:213 or .R:214 or .R:283 or .R:286 or .R:287 or .R:301 or .R:305; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{S})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one | Ligand Info | |||||
| Structure Description | Complex structure of Ghrelin receptor with Fab | PDB:6KO5 | ||||
| Method | X-ray diffraction | Resolution | 3.30 Å | Mutation | Yes | [4] |
| PDB Sequence |
DLEDNWETLN
1011 DNLKVIEKAD1021 NAAQVKDALT1031 KMRAAALDAQ1041 KATPPKLEDK1051 SPDSPEMKDF 1061 RHGFDILVGQ1071 IDDALKLANE1081 GKVKEAQAAA1091 EQLKTTRNAY1101 IQKYLPAPLL 43 AGVTATCVAL53 FVVGIAGNLL63 TMLVVSRFRE73 LRTTTNLYLS83 SMAFSDLLIF 93 LCMPLDLVRL103 WQYRPWNFGD113 LLCKLFQFVS123 ESCTYAKVLT133 ITALSVERYF 143 AICFPLRAKV153 VVTKGRVKLV163 IFVIWAVAFC173 SAGPIFVLVG183 VEHEQGTDPW 193 DTNECRPTEF203 AVRSGLLTVM213 VWVSSIFFFL223 PVFCLTVLYS233 LIGRKLWRRR 243 RGDAVVGASL253 RDQNHKQTVK263 MLAVVVFAFI273 LCWLPFHVGR283 YLFSKSFEPS 301 QYCNLVSFVL311 FYLSAAINPI321 LYNIMSKKYR331 VAVFRLLG
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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 .8QX or .8QX2 or .8QX3 or :38QX;style chemicals stick;color identity;select .A:99 or .A:102 or .A:103 or .A:119 or .A:120 or .A:123 or .A:124 or .A:128 or .A:178 or .A:181 or .A:182 or .A:198 or .A:199 or .A:200 or .A:210 or .A:213 or .A:214 or .A:217 or .A:279 or .A:283 or .A:286 or .A:308 or .A:309 or .A:312 or .A:313; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP99
2.562
ARG102
3.137
LEU103
4.483
PHE119
4.769
GLN120
3.655
SER123
3.607
GLU124
3.356
TYR128
4.672
ILE178
3.573
LEU181
3.637
VAL182
3.773
CYS198
4.542
ARG199
4.879
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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 recognition of an acyl-peptide hormone and activation of ghrelin receptor. Nat Commun. 2021 Aug 20;12(1):5064. | ||||
| REF 3 | Molecular mechanism of agonism and inverse agonism in ghrelin receptor. Nat Commun. 2022 Jan 13;13(1):300. | ||||
| REF 4 | Structure of an antagonist-bound ghrelin receptor reveals possible ghrelin recognition mode. Nat Commun. 2020 Aug 19;11(1):4160. | ||||
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