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 | Oleic acid | Ligand Info | |||
| Canonical SMILES | CCCCCCCCC=CCCCCCCCC(=O)O | ||||
| InChI | 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- | ||||
| InChIKey | ZQPPMHVWECSIRJ-KTKRTIGZSA-N | ||||
| PubChem Compound ID | 445639 | ||||
| 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
|
|||||
|
|
TRP56
3.643
LEU60
3.946
MET63
4.835
VAL64
4.092
ILE115
4.289
LEU181
3.918
ILE182
4.057
GLY185
3.612
ILE186
4.057
PRO189
4.072
LYS193
3.241
ARG213
3.879
|
|||||
| 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
|
|||||
|
|
||||||
| 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
|
|||||
|
|
||||||
| 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
|
|||||
|
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:181 or .A:182 or .A:185 or .A:186 or .A:189 or .A:193 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:220 or .A:221 or .A:224; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| 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. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.