Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T07806 | Target Info | |||
| Target Name | 5-HT 1B receptor (HTR1B) | ||||
| Synonyms | Serotonin receptor 1B; Serotonin 1D beta receptor; S12; HTR1DB; 5-hydroxytryptamine receptor 1B; 5-HT1B receptor; 5-HT1B; 5-HT-1D-beta; 5-HT-1B | ||||
| Target Type | Successful Target | ||||
| Gene Name | HTR1B | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Ergotamine | Ligand Info | |||||
| Structure Description | Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target) | PDB:4IAR | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [1] |
| PDB Sequence |
YIYQDSISLP
47 WKVLLVMLLA57 LITLATTLSN67 AFVIATVYRT77 RKLHTPANYL87 IASLAVTDLL 97 VSILVMPIST107 MYTVTGRWTL117 GQVVCDFWLS127 SDITCCTASI137 WHLCVIALDR 147 YWAITDAVEY157 SAKRTPKRAA167 VMIALVWVFS177 ISISLPPFFW187 RQASECVVNT 203 DHILYTVYST213 VGAFYFPTLL223 LIALYGRIYV233 EARSRIADLE1004 DNWETLNDNL 1014 KVIEKADNAA1024 QVKDALTKMR1034 AAALDAQKAT1044 PPKLEDKSPD1054 SPEMKDFRHG 1064 FDILVGQIDD1074 ALKLANEGKV1084 KEAQAAAEQL1094 KTTRNAYIQK1104 YLAARERKAT 313 KTLGIILGAF323 IVCWLPFFII333 SLVMPIWFHL348 AIFDFFTWLG358 YLNSLINPII 368 YTMSNEDFKQ378 AFHKLIRFK
|
|||||
|
|
TYR109
4.445
TRP125
3.919
LEU126
3.717
ASP129
2.722
ILE130
3.477
CYS133
3.354
THR134
2.945
ILE137
4.533
ILE180
4.755
CYS199
3.334
VAL200
3.450
VAL201
3.208
THR203
4.973
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Dihydroergotamine | Ligand Info | |||||
| Structure Description | Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with dihydroergotamine (PSI Community Target) | PDB:4IAQ | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [1] |
| PDB Sequence |
YIYQDSISLP
47 WKVLLVMLLA57 LITLATTLSN67 AFVIATVYRT77 RKLHTPANYL87 IASLAVTDLL 97 VSILVMPIST107 MYTVTGRWTL117 GQVVCDFWLS127 SDITCCTASI137 WHLCVIALDR 147 YWAITDAVEY157 SAKRTPKRAA167 VMIALVWVFS177 ISISLPPFFW187 RQASECVVNT 203 DHILYTVYST213 VGAFYFPTLL223 LIALYGRIYV233 EARSRIADLE1004 DNWETLNDNL 1014 KVINAAQVKD1028 ALTKMRAAAL1038 DAQKATPDSP1056 EMKDFRHGFD1066 ILVGQIDDAL 1076 KLANEGKVKE1086 AQAAAEQLKT1096 TRNAYIQKYL1106 LMAARERKAT313 KTLGIILGAF 323 IVCWLPFFII333 SLVMPIHLAI350 FDFFTWLGYL360 NSLINPIIYT370 MSNEDFKQAF 380 HKLIRFK
|
|||||
|
|
TYR109
4.276
TRP125
3.993
LEU126
3.844
ASP129
3.004
ILE130
3.484
CYS133
3.414
THR134
2.778
ILE137
4.908
ILE180
4.528
CYS199
3.078
VAL200
3.393
VAL201
3.011
|
|||||
| Ligand Name: 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine | Ligand Info | |||||
| Structure Description | Crystal structure of 5-HT1B receptor in complex with methiothepin | PDB:5V54 | ||||
| Method | X-ray diffraction | Resolution | 3.90 Å | Mutation | Yes | [2] |
| PDB Sequence |
YIYQDSISLP
47 WKVLLVMLLA57 LITLATTLSN67 AFVIATVYRT77 RKLHTPANYL87 IASLAVTDLL 97 VSILVMPIST107 MYTVTGRWTL117 GQVVCDFWLS127 SDITCCTASI137 WHLCVIALDR 147 YWAITDAVEY157 SAKRTPKRAA167 VMIALVWVFS177 ISISLPPFFW187 RQAKSECVVN 202 TDHILYTVYS212 TVGAFYFPTL222 LLIALYGRIY232 VEARSRIADL1003 EDRWRTLEDN 1013 LRVIERAANA1023 AEVREALTRM1033 RAAAEDAQRA1043 TPPALEDRSP1053 ASPEMEDFRH 1063 GFDILVGQID1073 DALRLADEGR1083 VAEAQAAAEE1093 LRTTRNAYIQ1103 KYLMAARERK 311 ATKTLGIILG321 AFIVCWLPFF331 IISLVMPICF346 HLAIFDFFTW356 LGYLNSLINP 366 IIYTMSNEDF376 KQAFHKLIRF386 KC
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .89F or .89F2 or .89F3 or :389F;style chemicals stick;color identity;select .A:125 or .A:126 or .A:129 or .A:130 or .A:133 or .A:134 or .A:137 or .A:201 or .A:209 or .A:212 or .A:213 or .A:216 or .A:217 or .A:327 or .A:330 or .A:331 or .A:334 or .A:355 or .A:359; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[5-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-1~{H}-indol-3-yl]ethylazanium | Ligand Info | |||||
| Structure Description | Coupling specificity of heterotrimeric Go to the serotonin 5-HT1B receptor | PDB:6G79 | ||||
| Method | Electron microscopy | Resolution | 3.78 Å | Mutation | No | [3] |
| PDB Sequence |
SLPWKVLLVM
54 LLALITLATT64 LSNAFVIATV74 YRTRKLHTPA84 NYLIASLAVT94 DLLVSILVMP 104 ISTMYTVTGR114 WTLGQVVCDF124 WLSSDITCCT134 ASIWHLCVIA144 LDRYWAITDA 154 VEYSAKRTPK164 RAAVMIALVW174 VFSISISLPP184 FFWSECVVNT203 DHILYTVYST 213 VGAFYFPTLL223 LIALYGRIYV233 EARSRILMAA307 RERKATKTLG317 IILGAFIVCW 327 LPFFIISLVM337 PWFHLAIFDF353 FTWLGYLNSL363 INPIIYTMSN373 EDFKQAFHKL 383 IR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EP5 or .EP52 or .EP53 or :3EP5;style chemicals stick;color identity;select .S:129 or .S:130 or .S:133 or .S:134 or .S:180 or .S:201 or .S:203 or .S:209 or .S:212 or .S:213 or .S:216 or .S:327 or .S:330 or .S:331 or .S:333 or .S:334 or .S:337 or .S:346 or .S:347 or .S:348 or .S:351 or .S:355 or .S:359; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP129
3.441
ILE130
3.330
CYS133
3.672
THR134
2.823
ILE180
4.904
VAL201
3.396
THR203
3.444
THR209
4.253
SER212
3.357
THR213
4.566
ALA216
3.995
TRP327
3.588
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis for molecular recognition at serotonin receptors. Science. 2013 May 3;340(6132):610-4. | ||||
| REF 2 | A common antagonistic mechanism for class A GPCRs revealed by the structure of the human 5-HT1B serotonin receptor bound to an antagonist | ||||
| REF 3 | Cryo-EM structure of the serotonin 5-HT(1B) receptor coupled to heterotrimeric G(o). Nature. 2018 Jun;558(7711):620-623. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.