Target Binding Site Detail

Content Navigation (  All   None )                                      
Target General Information
Ligand General Information
Drug Binding Sites of Target
References
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
5HT2B_HUMAN
Ligand General Information  Top
Ligand Name LYSERGIC ACID DIETHYLAMIDE Ligand Info
Canonical SMILES CCN(CC)C(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C
InChI 1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
InChIKey VAYOSLLFUXYJDT-RDTXWAMCSA-N
PubChem Compound ID 5761
Drug Binding Sites of Target  Top
PDB ID: 5TVN      Crystal structure of the LSD-bound 5-HT2B receptor
Method X-ray diffraction Resolution 2.90 Å Mutation Yes [1]
PDB Sequence
EEMKQIVEEQ
50
GNKLHWAALL
60
ILMVIIPTIG
70
GNTLVILAVS
80
LEKKLQYATN
90

YFLMSLAVAD
100
LLVGLFVMPI
110
ALLTIMFEAM
120
WPLPLVLCPA
130
WLFLDVLFST
140

ASIWHLCAIS
150
VDRYIAIKKP
160
IQANQYNSRA
170
TAFIKITVVW
180
LISIGIAIPV
190

PIKGIETNPN
203
NITCVLTKER
213
FGDFMLFGSL
223
AAFFTPLAIM
233
IVTYFLTIHA
243

LQKKAADLED
1005
NWETLNDNLK
1015
VIEKADNAAQ
1025
VKDALTKMRA
1035
AALDAQKATP
1045

PKLEPEMKDF
1061
RHGFDILVGQ
1071
IDDALKLANE
1081
GKVKEAQAAA
1091
EQLKTTRNAY
1101

IQKYLVQTIS
317
NEQRASKVLG
327
IVFFLFLLMW
337
CPFFITNITL
347
VLCDSCNQTT
357

LQMLLEIFVW
367
IGYVSSGVNP
377
LVYTLFNKTF
387
RDAFGRYITC
397
NYR
Residue
Distance (Å)
TRP131
3.481
LEU132
3.681
ASP135
2.412
VAL136
3.684
SER139
3.576
THR140
3.745
ILE186
4.791
LEU209
3.805
PHE217
3.571
MET218
4.052
GLY221
3.284
Residue
Distance (Å)
SER222
3.991
ALA225
3.825
TRP337
3.750
PHE340
3.387
PHE341
3.824
ASN344
3.878
GLN359
4.477
LEU362
3.681
GLU363
3.881
VAL366
3.749
TYR370
4.204
PDB ID: 7SRR      5-HT2B receptor bound to LSD in complex with heterotrimeric mini-Gq protein obtained by cryo-electron microscopy (cryoEM)
Method Electron microscopy Resolution 2.90 Å Mutation No [2]
PDB Sequence
WAALLILMVI
65
IPTIGGNTLV
75
ILAVSLEKKL
85
QYATNYFLMS
95
LAVADLLVGL
105

FVMPIALLTI
115
MFEAMWPLPL
125
VLCPAWLFLD
135
VLFSTASIWH
145
LCAISVDRYI
155

AIKKPIQANQ
165
YNSRATAFIK
175
ITVVWLISIG
185
IAIPVPIKGI
195
ETDVDNPNNI
205

TCVLTKERFG
215
DFMLFGSLAA
225
FFTPLAIMIV
235
TYFLTIHALQ
245
KKATISNEQR
321

ASKVLGIVFF
331
LFLLMWCPFF
341
ITNITLVLCD
351
SCNQTTLQML
361
LEIFVWIGYV
371

SSGVNPLVYT
381
LFNKTFRDAF
391
GRYI
Residue
Distance (Å)
TRP131
4.039
LEU132
3.867
ASP135
2.978
VAL136
3.765
SER139
3.400
THR140
3.957
ILE186
4.978
CYS207
4.971
VAL208
4.927
LEU209
4.686
PHE217
4.254
Residue
Distance (Å)
MET218
4.391
GLY221
3.401
SER222
4.189
ALA225
3.834
TRP337
4.238
PHE340
2.889
PHE341
4.388
ASN344
3.984
LEU362
3.964
VAL366
3.947
TYR370
4.184
PDB ID: 7SRS      5-HT2B receptor bound to LSD in complex with beta-arrestin1 obtained by cryo-electron microscopy (cryoEM)
Method Electron microscopy Resolution 3.30 Å Mutation Yes [2]
PDB Sequence
WAALLILMVI
65
IPTIGGNTLV
75
ILAVSLEKKL
85
QYATNYFLMS
95
LAVADLLVGL
105

FVMPIALLTI
115
MFEAMWPLPL
125
VLCPAWLFLD
135
VLFSTASIWH
145
LCAISVDRYI
155

AIKKPIQANQ
165
YNSRATAFIK
175
ITVVWLISIG
185
IAIPVPIKGI
195
ETDVDNPNNI
205

TCVLTKERFG
215
DFMLFGSLAA
225
FFTPLAIMIV
235
TYFLTIHALQ
245
KVRLLSRQTI
316

SNLQRASKVL
326
GIVFFLFLLM
336
WCPFFITNIT
346
LVLCDSCNQT
356
TLQMLLEIFV
366

WIGYVSSGVN
376
PLVYTLFNKT
386
FRDAFGRYIT
396
CIQIIL
Residue
Distance (Å)
TRP131
3.681
LEU132
3.843
ASP135
3.368
VAL136
4.401
SER139
3.969
THR140
4.302
VAL208
4.635
LEU209
4.445
PHE217
4.310
MET218
4.330
Residue
Distance (Å)
GLY221
4.096
SER222
4.316
ALA225
4.006
TRP337
4.783
PHE340
3.717
PHE341
3.973
ASN344
4.163
LEU362
4.833
VAL366
4.139
TYR370
4.542
PDB ID: 7SRQ      5-HT2B receptor bound to LSD obtained by cryo-electron microscopy (cryoEM)
Method Electron microscopy Resolution 2.70 Å Mutation No [2]
PDB Sequence
WAALLILMVI
65
IPTIGGNTLV
75
ILAVSLEKKL
85
QYATNYFLMS
95
LAVADLLVGL
105

FVMPIALLTI
115
MFEAMWPLPL
125
VLCPAWLFLD
135
VLFSTASIWH
145
LCAISVDRYI
155

AIKKPSRATA
172
FIKITVVWLI
182
SIGIAIPVPI
192
KGIETDVDNP
202
NNITCVLTKE
212

RFGDFMLFGS
222
LAAFFTPLAI
232
MIVTYFLTIH
242
AASKVLGIVF
330
FLFLLMWCPF
340

FITNITLVLC
350
DSCNQTTLQM
360
LLEIFVWIGY
370
VSSGVNPLVY
380
TLFNKTFRDA
390

FGRY
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
Residue
Distance (Å)
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
Residue
Distance (Å)
SER222
4.375
ALA225
4.126
TRP337
3.831
PHE340
3.188
PHE341
4.316
ASN344
3.705
LEU362
4.369
GLU363
4.534
VAL366
3.151
TYR370
4.290
References  Top
REF 1 Crystal Structure of an LSD-Bound Human Serotonin Receptor. Cell. 2017 Jan 26;168(3):377-389.e12.
REF 2 Signaling snapshots of a serotonin receptor activated by the prototypical psychedelic LSD. Neuron. 2022 Oct 5;110(19):3154-3167.e7.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.