Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Ergotamine | Ligand Info | |||||
| Structure Description | Crystal structure of the chimeric protein of 5-HT2B-BRIL in complex with ergotamine | PDB:4IB4 | ||||
| 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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|
|
TRP131
4.190
LEU132
3.774
ASP135
2.630
VAL136
3.633
SER139
3.431
THR140
2.954
ILE186
4.733
CYS207
3.903
VAL208
3.580
LEU209
2.879
THR210
3.670
LYS211
3.659
PHE214
4.836
GLY215
4.879
PHE217
3.838
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Methylergonovine | Ligand Info | |||||
| Structure Description | Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | PDB:6DRY | ||||
| Method | X-ray diffraction | Resolution | 2.92 Å | Mutation | Yes | [2] |
| 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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|
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LEU132
4.626
ASP135
2.531
VAL136
3.720
SER139
3.824
THR140
3.319
ILE186
4.919
CYS207
4.087
VAL208
3.298
LEU209
2.739
PHE217
3.605
MET218
4.527
GLY221
3.517
|
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| Ligand Name: Methysergide | Ligand Info | |||||
| Structure Description | Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | PDB:6DRZ | ||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | Yes | [2] |
| 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 .H8J or .H8J2 or .H8J3 or :3H8J;style chemicals stick;color identity;select .A:132 or .A:135 or .A:136 or .A:139 or .A:140 or .A:186 or .A:207 or .A:208 or .A:209 or .A:217 or .A:218 or .A:221 or .A:222 or .A:225 or .A:226 or .A:337 or .A:340 or .A:341 or .A:344 or .A:359 or .A:362 or .A:363 or .A:366 or .A:370; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU132
4.861
ASP135
2.546
VAL136
3.957
SER139
3.598
THR140
3.379
ILE186
4.356
CYS207
4.526
VAL208
3.381
LEU209
2.828
PHE217
3.681
MET218
4.639
GLY221
3.373
|
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| Ligand Name: Lisuride | Ligand Info | |||||
| Structure Description | Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | PDB:6DRX | ||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | Yes | [2] |
| 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 .H8G or .H8G2 or .H8G3 or :3H8G;style chemicals stick;color identity;select .A:131 or .A:132 or .A:135 or .A:136 or .A:139 or .A:140 or .A:186 or .A:207 or .A:208 or .A:209 or .A:217 or .A:218 or .A:221 or .A:222 or .A:225 or .A:337 or .A:340 or .A:341 or .A:344 or .A:366 or .A:370; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TRP131
3.476
LEU132
3.677
ASP135
2.659
VAL136
3.500
SER139
3.319
THR140
3.163
ILE186
4.414
CYS207
4.232
VAL208
3.544
LEU209
3.431
PHE217
3.397
|
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| Ligand Name: Cholesterol | Ligand Info | |||||
| Structure Description | Crystal structure of the chimeric protein of 5-HT2B-BRIL in complex with ergotamine | PDB:4IB4 | ||||
| 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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|
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: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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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Oleic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the chimeric protein of 5-HT2B-BRIL in complex with ergotamine | PDB:4IB4 | ||||
| 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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|
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:56 or .A:60 or .A:63 or .A:64 or .A:115 or .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:216 or .A:217 or .A:220 or .A:221 or .A:224 or .A:363 or .A:364 or .A:367 or .A:368 or .A:371; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: L-serine-O-phosphate | Ligand Info | |||||
| Structure Description | 5-HT2B receptor bound to LSD in complex with beta-arrestin1 obtained by cryo-electron microscopy (cryoEM) | PDB:7SRS | ||||
| Method | Electron microscopy | Resolution | 3.30 Å | Mutation | Yes | [3] |
| PDB Sequence |
WAALLILMVI
65 IPTIGGNTLV75 ILAVSLEKKL85 QYATNYFLMS95 LAVADLLVGL105 FVMPIALLTI 115 MFEAMWPLPL125 VLCPAWLFLD135 VLFSTASIWH145 LCAISVDRYI155 AIKKPIQANQ 165 YNSRATAFIK175 ITVVWLISIG185 IAIPVPIKGI195 ETDVDNPNNI205 TCVLTKERFG 215 DFMLFGSLAA225 FFTPLAIMIV235 TYFLTIHALQ245 KVRLLSRQTI316 SNLQRASKVL 326 GIVFFLFLLM336 WCPFFITNIT346 LVLCDSCNQT356 TLQMLLEIFV366 WIGYVSSGVN 376 PLVYTLFNKT386 FRDAFGRYIT396 CIQIIL
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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 .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .R:453 or .R:454 or .R:458 or .R:459; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: LYSERGIC ACID DIETHYLAMIDE | Ligand Info | |||||
| Structure Description | 5-HT2B receptor bound to LSD obtained by cryo-electron microscopy (cryoEM) | PDB:7SRQ | ||||
| Method | Electron microscopy | Resolution | 2.70 Å | Mutation | No | [3] |
| PDB Sequence |
WAALLILMVI
65 IPTIGGNTLV75 ILAVSLEKKL85 QYATNYFLMS95 LAVADLLVGL105 FVMPIALLTI 115 MFEAMWPLPL125 VLCPAWLFLD135 VLFSTASIWH145 LCAISVDRYI155 AIKKPSRATA 172 FIKITVVWLI182 SIGIAIPVPI192 KGIETDVDNP202 NNITCVLTKE212 RFGDFMLFGS 222 LAAFFTPLAI232 MIVTYFLTIH242 AASKVLGIVF330 FLFLLMWCPF340 FITNITLVLC 350 DSCNQTTLQM360 LLEIFVWIGY370 VSSGVNPLVY380 TLFNKTFRDA390 FGRY |
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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 .7LD or .7LD2 or .7LD3 or :37LD;style chemicals stick;color identity;select .R:131 or .R:132 or .R:135 or .R:136 or .R:139 or .R:140 or .R:207 or .R:209 or .R:217 or .R:218 or .R:221 or .R:222 or .R:225 or .R:337 or .R:340 or .R:341 or .R:344 or .R:362 or .R:363 or .R:366 or .R:370; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TRP131
4.052
LEU132
3.984
ASP135
2.827
VAL136
4.095
SER139
3.976
THR140
3.425
CYS207
4.777
LEU209
4.757
PHE217
4.731
MET218
4.588
GLY221
4.273
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1,2-Distearoyl-sn-glycerol | Ligand Info | |||||
| Structure Description | Crystal structure of the 5-HT2B receptor solved using serial femtosecond crystallography in lipidic cubic phase. | PDB:4NC3 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [4] |
| 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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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DGA or .DGA2 or .DGA3 or :3DGA;style chemicals stick;color identity;select .A:154 or .A:231 or .A:234 or .A:235 or .A:238 or .A:239 or .A:241 or .A:242 or .A:245; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: (1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline | Ligand Info | |||||
| Structure Description | Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | PDB:6DS0 | ||||
| Method | X-ray diffraction | Resolution | 3.19 Å | Mutation | Yes | [2] |
| 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 .H8M or .H8M2 or .H8M3 or :3H8M;style chemicals stick;color identity;select .A:111 or .A:114 or .A:131 or .A:132 or .A:135 or .A:136 or .A:139 or .A:186 or .A:208 or .A:209 or .A:217 or .A:218 or .A:221 or .A:222 or .A:225 or .A:337 or .A:340 or .A:341 or .A:344 or .A:359 or .A:362 or .A:363 or .A:366 or .A:367 or .A:370; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA111
3.860
THR114
3.561
TRP131
3.818
LEU132
4.626
ASP135
2.539
VAL136
3.559
SER139
4.023
ILE186
4.301
VAL208
4.401
LEU209
3.642
PHE217
3.625
MET218
4.343
GLY221
3.399
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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 | Structural determinants of 5-HT(2B) receptor activation and biased agonism. Nat Struct Mol Biol. 2018 Sep;25(9):787-796. | ||||
| REF 3 | Signaling snapshots of a serotonin receptor activated by the prototypical psychedelic LSD. Neuron. 2022 Oct 5;110(19):3154-3167.e7. | ||||
| REF 4 | Serial femtosecond crystallography of G protein-coupled receptors. Science. 2013 Dec 20;342(6165):1521-4. | ||||
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