Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Lorcaserin | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the 5HT2C receptor (INI isoform) bound to lorcaserin | PDB:8DPF | ||||
| 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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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Ergotamine | Ligand Info | |||||
| Structure Description | Crystal structure of 5-HT2C in complex with ergotamine | PDB:6BQG | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | Yes | [2] |
| PDB Sequence |
GGRFKFPDGV
52 QNWPALSIVI62 IIIMTIGGNI72 LVIMAVSMEK82 KLHNATNYFL92 MSLAIADMLV 102 GLLVMPLSLL112 AILYDYVWPL122 PRYLCPVWIS132 LDVLFSTASI142 MHLCAISLDR 152 YVAIRNPIEH162 NSRTKAIMKI175 AIVWAISIGV185 SVPIPVIGLR195 DEEKVFVNNT 205 TCVLNDPNFV215 LIGSFVAFFI225 PLTIMVITYC235 LTIYVLRRQA245 ADLEDNWETL 1010 NDNLKVIEKA1020 DNAAQVKDAL1030 TKMRAAALDA1040 QKAMKDFRHG1064 FDILVGQIDD 1074 ALKLANEGKV1084 KEAQAAAEQL1094 KTTRNAYIQK1104 YLQAINNERK308 ASKVLGIVFF 318 VFLIMWCPFF328 ITNILSVLCE338 KSCNQKLMEK348 LLNVFVWIGY358 VNSGINPLVY 368 TLFNKIYRRA378 FSNYLRCN
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TRP130
4.114
ASP134
2.679
VAL135
3.622
SER138
3.352
THR139
2.807
ILE142
4.811
VAL185
4.531
CYS207
4.230
VAL208
3.654
LEU209
2.721
ASN210
4.708
PHE214
4.163
VAL215
3.995
GLY218
3.579
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| Ligand Name: Cholesterol | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the 5HT2C receptor (INI isoform) bound to lorcaserin | PDB:8DPF | ||||
| 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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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:143 or .A:146 or .A:147 or .A:150 or .A:151 or .A:154 or .A:161 or .A:162 or .A:165 or .A:170 or .A:173 or .A:174 or .A:177 or .A:178 or .A:181; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Psilocin | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the 5HT2C receptor (INI isoform) bound to psilocin | PDB:8DPG | ||||
| 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 .91Q or .91Q2 or .91Q3 or :391Q;style chemicals stick;color identity;select .A:134 or .A:135 or .A:138 or .A:139 or .A:185 or .A:214 or .A:215 or .A:216 or .A:217 or .A:218 or .A:219 or .A:222 or .A:324 or .A:327 or .A:328 or .A:331 or .A:354 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Oleic acid | Ligand Info | |||||
| Structure Description | Crystal structure of 5-HT2C in complex with ritanserin | PDB:6BQH | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [2] |
| PDB Sequence |
FKFPDGVQNW
55 PALSIVIIII65 MTIGGNILVI75 MAVSMEKKLH85 NATNYFLMSL95 AIADMLVGLL 105 VMPLSLLAIL115 YDYVWPLPRY125 LCPVWISLDV135 LFSTASIMHL145 CAISLDRYVA 155 IRNPIEHSRF165 NSRTKAIMKI175 AIVWAISIGV185 SVPIPVIGLR195 DEEKVFVNNT 205 TCVLNDPNFV215 LIGSFVAFFI225 PLTIMVITYC235 LTIYVLRRQA245 ADLEDNWETL 1010 NDNLKVIEKA1020 VKDALTKMRA1035 AALDAQKATM1058 KDFRHGFDIL1068 QLKTTRNAYI 1102 QKYLQAINNE306 RKASKVLGIV316 FFVFLIMWCP326 FFITNILSVL336 CEKSCNQKLM 346 EKLLNVFVWI356 GYVNSGINPL366 VYTLFNKIYR376 RAFSNYLRCN386 Y |
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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 .OLA or .OLA2 or .OLA3 or :3OLA;style chemicals stick;color identity;select .A:75 or .A:79 or .A:90 or .A:93 or .A:94 or .A:97 or .A:100 or .A:101 or .A:105 or .A:133 or .A:136 or .A:137 or .A:172 or .A:175 or .A:179 or .A:183; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Ritanserin | Ligand Info | |||||
| Structure Description | Crystal structure of 5-HT2C in complex with ritanserin | PDB:6BQH | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [2] |
| PDB Sequence |
FKFPDGVQNW
55 PALSIVIIII65 MTIGGNILVI75 MAVSMEKKLH85 NATNYFLMSL95 AIADMLVGLL 105 VMPLSLLAIL115 YDYVWPLPRY125 LCPVWISLDV135 LFSTASIMHL145 CAISLDRYVA 155 IRNPIEHSRF165 NSRTKAIMKI175 AIVWAISIGV185 SVPIPVIGLR195 DEEKVFVNNT 205 TCVLNDPNFV215 LIGSFVAFFI225 PLTIMVITYC235 LTIYVLRRQA245 ADLEDNWETL 1010 NDNLKVIEKA1020 VKDALTKMRA1035 AALDAQKATM1058 KDFRHGFDIL1068 QLKTTRNAYI 1102 QKYLQAINNE306 RKASKVLGIV316 FFVFLIMWCP326 FFITNILSVL336 CEKSCNQKLM 346 EKLLNVFVWI356 GYVNSGINPL366 VYTLFNKIYR376 RAFSNYLRCN386 Y |
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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 .E2J or .E2J2 or .E2J3 or :3E2J;style chemicals stick;color identity;select .A:110 or .A:118 or .A:130 or .A:134 or .A:135 or .A:138 or .A:139 or .A:142 or .A:185 or .A:208 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:223 or .A:320 or .A:324 or .A:327 or .A:328 or .A:331 or .A:347 or .A:350 or .A:351 or .A:354 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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SER110
4.553
TYR118
4.565
TRP130
3.694
ASP134
2.589
VAL135
3.670
SER138
3.157
THR139
3.439
ILE142
3.262
VAL185
4.748
VAL208
4.005
PHE214
3.741
VAL215
3.674
GLY218
2.880
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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. | ||||
| REF 2 | 5-HT(2C) Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology. Cell. 2018 Feb 8;172(4):719-730.e14. | ||||
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