Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T83813 | Target Info | |||
| Target Name | 5-HT 2C receptor (HTR2C) | ||||
| Synonyms | Serotonin receptor 2C; HTR1C; 5HT-1C; 5-hydroxytryptamine receptor 2C; 5-hydroxytryptamine receptor 1C; 5-HTR2C; 5-HT2C receptor; 5-HT2C; 5-HT1C; 5-HT-2C; 5-HT-1C | ||||
| Target Type | Successful Target | ||||
| Gene Name | HTR2C | ||||
| 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: 8DPF Cryo-EM structure of the 5HT2C receptor (INI isoform) bound to lorcaserin | ||||||
| Method | Electron microscopy | Resolution | 2.84 Å | Mutation | Yes | [1] |
| PDB Sequence |
SIVIIIIMTI
68 GGNILVIMAV78 SMEKKLHNAT88 NYFLMSLAIA98 DMLVGLLVMP108 LSLLAILYDY 118 VWLCPVWISL133 DVLFSTASIM143 HLCAISLDRY153 VAIRNPIEHS163 RFNSRTKAIM 173 KIAIVWAISI183 GVSVPIPVIG193 LRDEEKVFVN203 TCVLNDPNFV215 LIGSFVAFFI 225 PLTIMVITYC235 LTIYVLRRQA245 LMMQAINNER307 KASKVLGIVF317 FVFLIMWCPF 327 FITNILSVLC337 ECNQKLMEKL349 LNVFVWIGYV359 CSGINPLVYT369 LFNKIYRRAF 379 SNYL
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| PDB ID: 8DPH Cryo-EM structure of the 5HT2C receptor (VGV isoform) bound to lorcaserin | ||||||
| Method | Electron microscopy | Resolution | 3.20 Å | Mutation | Yes | [1] |
| PDB Sequence |
SIVIIIIMTI
68 GGNILVIMAV78 SMEKKLHNAT88 NYFLMSLAIA98 DMLVGLLVMP108 LSLLAILYDY 118 VWLCPVWISL133 DVLFSTASIM143 HLCAISLDRY153 VAVRSPVEHS163 RFNSRTKAIM 173 KIAIVWAISI183 GVSVPIPVIG193 LRDEEKVFVN203 TCVLNDPNFV215 LIGSFVAFFI 225 PLTIMVITYC235 LTIYVLRRQA245 LMMQAINNER307 KASKVLGIVF317 FVFLIMWCPF 327 FITNILSVLC337 ECNQKLMEKL349 LNVFVWIGYV359 CSGINPLVYT369 LFNKIYRRAF 379 SNYL
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ILE60
2.820
ILE63
4.709
ILE114
4.145
MET143
4.238
CYS146
3.699
ALA147
3.706
LEU150
3.441
ASP151
3.905
VAL154
3.098
ARG157
4.673
GLU161
2.695
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| PDB ID: 8DPI Cryo-EM structure of the 5HT2C receptor (VSV isoform) bound to lorcaserin | ||||||
| Method | Electron microscopy | Resolution | 3.40 Å | Mutation | Yes | [1] |
| PDB Sequence |
SIVIIIIMTI
68 GGNILVIMAV78 SMEKKLHNAT88 NYFLMSLAIA98 DMLVGLLVMP108 LSLLAILYDY 118 VWLCPVWISL133 DVLFSTASIM143 HLCAISLDRY153 VAVRSPVEHS163 RFNSRTKAIM 173 KIAIVWAISI183 GVSVPIPVIG193 LRDEEKVFVN203 TCVLNDPNFV215 LIGSFVAFFI 225 PLTIMVITYC235 LTIYVLRRQA245 LMMQAINNER307 KASKVLGIVF317 FVFLIMWCPF 327 FITNILSVLC337 ECNQKLMEKL349 LNVFVWIGYV359 CSGINPLVYT369 LFNKIYRRAF 379 SNYL
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| PDB ID: 8DPG Cryo-EM structure of the 5HT2C receptor (INI isoform) bound to psilocin | ||||||
| Method | Electron microscopy | Resolution | 3.60 Å | Mutation | Yes | [1] |
| PDB Sequence |
SIVIIIIMTI
68 GGNILVIMAV78 SMEKKLHNAT88 NYFLMSLAIA98 DMLVGLLVMP108 LSLLAILYDY 118 VWLCPVWISL133 DVLFSTASIM143 HLCAISLDRY153 VAIRNPIEHS163 RFNSRTKAIM 173 KIAIVWAISI183 GVSVPIPVIG193 LRDEEKVFVN203 TCVLNDPNFV215 LIGSFVAFFI 225 PLTIMVITYC235 LTIYVLRRQA245 LMMQAINNER307 KASKVLGIVF317 FVFLIMWCPF 327 FITNILSVLC337 ECNQKLMEKL349 LNVFVWIGYV359 CSGINPLVYT369 LFNKIYRRAF 379 SNYL
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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 .A:91 or .A:146 or .A:147 or .A:148 or .A:149 or .A:150 or .A:151 or .A:152 or .A:154 or .A:158 or .A:161 or .A:162 or .A:165 or .A:170 or .A:171 or .A:172 or .A:173 or .A:174 or .A:175 or .A:177 or .A:178; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE91
3.825
CYS146
4.105
ALA147
1.873
ILE148
4.012
SER149
4.873
LEU150
2.048
ASP151
2.041
ARG152
4.959
VAL154
2.276
ASN158
4.628
GLU161
3.272
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Molecular insights into the regulation of constitutive activity by RNA editing of 5HT(2C) serotonin receptors. Cell Rep. 2022 Aug 16;40(7):111211. | ||||
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