Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T31204 | Target Info | |||
| Target Name | 5-HT 2B receptor (HTR2B) | ||||
| Synonyms | Serotonin receptor 2B; 5-hydroxytryptamine receptor 2B; 5-HT2B; 5-HT-2B; 5-HT 2B | ||||
| Target Type | Successful Target | ||||
| Gene Name | HTR2B | ||||
| 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: 4IB4 Crystal structure of the chimeric protein of 5-HT2B-BRIL in complex with ergotamine | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [1] |
| PDB Sequence |
EEQGNKLHWA
57 ALLILMVIIP67 TIGGNTLVIL77 AVSLEKKLQY87 ATNYFLMSLA97 VADLLVGLFV 107 MPIALLTIMF117 EAMWPLPLVL127 CPAWLFLDVL137 FSTASIWHLC147 AISVDRYIAI 157 KKPIQANQYN167 SRATAFIKIT177 VVWLISIGIA187 IPVPIKGIET197 NPNNITCVLT 210 KERFGDFMLF220 GSLAAFFTPL230 AIMIVTYFLT240 IHALQKKAAD1002 LEDNWETLND 1012 NLKVIEKADN1022 AAQVKDALTK1032 MRAAALDAQK1042 KDFRHGFDIL1068 VGQIDDALKL 1078 ANEGKVKEAQ1088 AAAEQLKTTR1098 NAYIQKYLQT315 ISNEQRASKV325 LGIVFFLFLL 335 MWCPFFITNI345 TLVLCDSCNQ355 TTLQMLLEIF365 VWIGYVSSGV375 NPLVYTLFNK 385 TFRDAFGRYI395 TCNYR
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| PDB ID: 4NC3 Crystal structure of the 5-HT2B receptor solved using serial femtosecond crystallography in lipidic cubic phase. | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [2] |
| PDB Sequence |
EEQGNKLHWA
57 ALLILMVIIP67 TIGGNTLVIL77 AVSLEKKLQY87 ATNYFLMSLA97 VADLLVGLFV 107 MPIALLTIMF117 EAMWPLPLVL127 CPAWLFLDVL137 FSTASIWHLC147 AISVDRYIAI 157 KKPIQANQYN167 SRATAFIKIT177 VVWLISIGIA187 IPVPIKGIET197 VDNPNNITCV 208 LTKERFGDFM218 LFGSLAAFFT228 PLAIMIVTYF238 LTIHALQKKA248 ADLEDNWETL 1010 NDNLKVIEKA1020 DNAAQVKDAL1030 TKMRAKDFRH1063 GFDILVGQID1073 DALKLANEGK 1083 VKEAQAAAEQ1093 LKTTRNAYIQ1103 KYLQTISNEQ320 RASKVLGIVF330 FLFLLMWCPF 340 FITNITLVLC350 DSCNQTTLQM360 LLEIFVWIGY370 VSSGVNPLVY380 TLFNKTFRDA 390 FGRYITCNYR400
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| PDB ID: 6DRY Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | ||||||
| Method | X-ray diffraction | Resolution | 2.92 Å | Mutation | Yes | [3] |
| PDB Sequence |
MKQIVEEQGN
52 KLHWAALLIL62 MVIIPTIGGN72 TLVILAVSLE82 KKLQYATNYF92 LMSLAVADLL 102 VGLFVMPIAL112 LTIMFEAMWP122 LPLVLCPAWL132 FLDVLFSTAS142 IWHLCAISVD 152 RYIAIKKPIQ162 ANNSRATAFI174 KITVVWLISI184 GIAIPVPIKG194 IETDNPNNIT 206 CVLTKERFGD216 FMLFGSLAAF226 FTPLAIMIVT236 YFLTIHALQK246 KAADLEDNWE 1008 TLNDNLKVIE1018 KADNAAQVKD1028 ALTKMRAAAL1038 DAQKATPPKL1048 EPEMKDFRHG 1064 FDILVGQIDD1074 ALKLANEGKV1084 KEAQAAAEQL1094 KTTRNAYIQK1104 YLVQTISNEQ 320 RASKVLGIVF330 FLFLLMWCPF340 FITNITLVLC350 DSCNQTTLQM360 LLEIFVWIGY 370 VSSGVNPLVY380 TLFNKTFRDA390 FGRYITCNYR400
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| PDB ID: 6DRZ Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | Yes | [3] |
| PDB Sequence |
IPEEMKQIVE
48 EQGNKLHWAA58 LLILMVIIPT68 IGGNTLVILA78 VSLEKKLQYA88 TNYFLMSLAV 98 ADLLVGLFVM108 PIALLTIMFE118 AMWPLPLVLC128 PAWLFLDVLF138 STASIWHLCA 148 ISVDRYIAIK158 KPIQANSRAT171 AFIKITVVWL181 ISIGIAIPVP191 IKGIETDVDN 201 PNNITCVLTK211 ERFGDFMLFG221 SLAGFFTPLA231 IMIVTYFLTI241 HALQKKAADL 1003 EDNWETLNDN1013 LKVIEKADNA1023 AQVKDALTKM1033 RAAALDAQKA1043 TPPDFRHGFD 1066 ILVGQIDDAL1076 KLANEGKVKE1086 AQAAAEQLKT1096 TRNAYIQKYL1106 VQTISNEQRA 322 SKVLGIVFFL332 FLLMWCPFFI342 TNITLVLCDS352 CNQTTLQMLL362 EIFVWIGYVS 372 SGVNPLVYTL382 FNKTFRDAFG392 RYITCNYR
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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:61 or .A:65 or .A:66 or .A:69 or .A:70 or .A:73 or .A:74 or .A:77 or .A:394 or .A:395 or .A:399; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6DRX Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | Yes | [3] |
| PDB Sequence |
VEEQGNKLHW
56 AALLILMVII66 PTIGGNTLVI76 LAVSLEKKLQ86 YATNYFLMSL96 AVADLLVGLF 106 VMPIALLTIM116 FEAMWPLPLV126 LCPAWLFLDV136 LFSTASIWHL146 CAISVDRYIA 156 IKKPIQANQY166 NSRATAFIKI176 TVVWLISIGI186 AIPVPIKGIE196 TNPNNITCVL 209 TKERFGDFML219 FGSLAAFFTP229 LAIMIVTYFL239 TIHALQKKAA1001 DLEDNWETLN 1011 DNLKVIEKAD1021 NAAQVKDALT1031 KMRAAFRHGF1065 DILVGQIDDA1075 LKLANEGKVK 1085 EAQAAAEQLK1095 TTRNAYIQKY1105 LQTISNEQRA322 SKVLGIVFFL332 FLLMWCPFFI 342 TNITLVLCDS352 CNQTTLQMLL362 EIFVWIGYVS372 SGVNPLVYTL382 FNKTFRDAFG 392 RYITCNYR
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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:61 or .A:65 or .A:66 or .A:69 or .A:70 or .A:73 or .A:74 or .A:77 or .A:394 or .A:395 or .A:399; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6DS0 Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | ||||||
| Method | X-ray diffraction | Resolution | 3.19 Å | Mutation | Yes | [3] |
| PDB Sequence |
EEQGNKLHWA
57 ALLILMVIIP67 TIGGNTLVIL77 AVSLEKKLQY87 ATNYFLMSLA97 VADLLVGLFV 107 MPIALLTIMF117 EAMWPLPLVL127 CPAWLFLDVL137 FSTASIWHLC147 AISVDRYIAI 157 KKPIQANNSR169 ATAFIKITVV179 WLISIGIAIP189 VPIKGIETNP202 NNITCVLTKE 212 RFGDFMLFGS222 LAAFFTPLAI232 MIVTYFLTIH242 ALQKKAADLE1004 DNWETLNDNL 1014 KVIEKADNAA1024 QVKDALTKMR1034 AAAKDFRHGF1065 DILVGQIDDA1075 LKLANEGKVK 1085 EAQAAAEQLK1095 TTRNAYIQKY1105 LQTISNEQRA322 SKVLGIVFFL332 FLLMWCPFFI 342 TNITLVLCDS352 CNQTTLQMLL362 EIFVWIGYVS372 SGVNPLVYTL382 FNKTFRDAFG 392 RYITCNYR
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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:61 or .A:65 or .A:66 or .A:69 or .A:70 or .A:73 or .A:74 or .A:77 or .A:394 or .A:395 or .A:397 or .A:399; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5TVN Crystal structure of the LSD-bound 5-HT2B receptor | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | Yes | [4] |
| PDB Sequence |
EEMKQIVEEQ
50 GNKLHWAALL60 ILMVIIPTIG70 GNTLVILAVS80 LEKKLQYATN90 YFLMSLAVAD 100 LLVGLFVMPI110 ALLTIMFEAM120 WPLPLVLCPA130 WLFLDVLFST140 ASIWHLCAIS 150 VDRYIAIKKP160 IQANQYNSRA170 TAFIKITVVW180 LISIGIAIPV190 PIKGIETNPN 203 NITCVLTKER213 FGDFMLFGSL223 AAFFTPLAIM233 IVTYFLTIHA243 LQKKAADLED 1005 NWETLNDNLK1015 VIEKADNAAQ1025 VKDALTKMRA1035 AALDAQKATP1045 PKLEPEMKDF 1061 RHGFDILVGQ1071 IDDALKLANE1081 GKVKEAQAAA1091 EQLKTTRNAY1101 IQKYLVQTIS 317 NEQRASKVLG327 IVFFLFLLMW337 CPFFITNITL347 VLCDSCNQTT357 LQMLLEIFVW 367 IGYVSSGVNP377 LVYTLFNKTF387 RDAFGRYITC397 NYR
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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:61 or .A:65 or .A:66 or .A:69 or .A:70 or .A:73 or .A:74 or .A:77 or .A:394 or .A:395 or .A:397 or .A:399; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural features for functional selectivity at serotonin receptors. Science. 2013 May 3;340(6132):615-9. | ||||
| REF 2 | Serial femtosecond crystallography of G protein-coupled receptors. Science. 2013 Dec 20;342(6165):1521-4. | ||||
| REF 3 | Structural determinants of 5-HT(2B) receptor activation and biased agonism. Nat Struct Mol Biol. 2018 Sep;25(9):787-796. | ||||
| REF 4 | Crystal Structure of an LSD-Bound Human Serotonin Receptor. Cell. 2017 Jan 26;168(3):377-389.e12. | ||||
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