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 T32060 Target Info
Target Name 5-HT 2A receptor (HTR2A)
Synonyms Serotonin receptor 2A; HTR2; 5-hydroxytryptamine receptor 2A; 5-HT-2A; 5-HT-2
Target Type Successful Target
Gene Name HTR2A
Biochemical Class GPCR rhodopsin
UniProt ID
5HT2A_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: 6WGT      Crystal structure of HTR2A with hallucinogenic agonist
Method X-ray diffraction Resolution 3.40 Å Mutation No [1]
PDB Sequence
QEKNWSALLT
81
AVVIILTIAG
91
NILVIMAVSL
101
EKKLQNATNY
111
FLMSLAIADM
121

LLGFLVMPVS
131
MLTILYGYRW
141
PLPSKLCAVW
151
IYLDVLFSTA
161
SIMHLCAISL
171

DRYVAIQNPI
181
SRFNSRTKAF
193
LKIIAVWTIS
203
VGISMPIPVF
213
GLSKVFKEGS
226

CLLADDNFVL
236
IGSFVSFFIP
246
ATIMVITYFL
256
TIKSLQKEAA
1001
DLEDNWETLN
1011

DNLKVIEKAD
1021
NAAQVKDALT
1031
KMRAAALDAQ
1041
KATPPKEDKS
1052
PDSPEMKDFR
1062

HGFDILVGQI
1072
DDAKLAKEAQ
1088
AAAEQLKTTR
1098
NAYIQKYLTM
312
QSISNEQKAC
322

KVLGIVFFLF
332
VVMWCPFFIT
342
NIMAVICKES
352
CNEDVIGALL
362
NVFVWIGYAS
372

SAVNPLVYTL
382
FNKTYRSAFS
392
RYIQCQY
Residue
Distance (Å)
SER131
4.671
TRP151
3.077
ILE152
4.422
ASP155
2.837
VAL156
3.658
SER159
4.230
THR160
4.541
CYS227
4.158
LEU228
4.200
LEU229
4.030
PHE234
4.162
VAL235
4.194
Residue
Distance (Å)
GLY238
3.528
SER239
4.415
SER242
2.965
TRP336
3.128
PHE339
3.264
PHE340
3.600
ASN343
3.524
LEU362
4.719
ASN363
4.584
VAL366
3.711
TYR370
4.426
PDB ID: 7WC6      Crystal structure of serotonin 2A receptor in complex with LSD
Method X-ray diffraction Resolution 2.60 Å Mutation Yes [2]
PDB Sequence
KNWSALLTAV
83
VIILTIAGNI
93
LVIMAVSLEK
103
KLQNATNYFL
113
MSLAIADMLL
123

GFLVMPVSML
133
TILYGYRWPL
143
PSKLCAVWIY
153
LDVLFSTAKI
163
WHLCAISLDR
173

YVAIQNPSRT
190
KAFLKIIAVW
200
TISVGISMPI
210
PVFGLQDDSK
220
VFKEGSCLLA
230

DDNFVLIGSF
240
VSFFIPLTIM
250
VITYFLTIKS
260
LQKEAADLED
1005
NWETLNDNLK
1015

VIEKADNAAQ
1025
VKDALTKMRA
1035
AALDADILVG
1070
QIDDALKLAN
1080
EGKVKEAQAA
1090

AEQLKTTINA
1100
YIQKYGQSIS
316
NEQKACKVLG
326
IVFFLFVVMW
336
CPFFITNIMA
346

VICKESCNED
356
VIGALLNVFV
366
WIGYLNSAVN
376
PLVYTLFNKT
386
YRSAFSRYIQ
396

CQYKE
Residue
Distance (Å)
SER131
3.718
TRP151
3.666
ILE152
3.853
ASP155
2.611
VAL156
3.827
SER159
3.612
THR160
4.773
CYS227
4.702
LEU228
4.909
LEU229
3.949
PHE234
4.381
Residue
Distance (Å)
VAL235
3.712
GLY238
2.959
SER239
3.855
SER242
3.809
TRP336
3.289
PHE339
3.658
PHE340
3.721
ASN343
3.575
VAL366
3.608
TYR370
3.659
References  Top
REF 1 Structure of a Hallucinogen-Activated Gq-Coupled 5-HT 2A Serotonin Receptor. doi:10.1016/j.cell.2020.08.024.
REF 2 Structure-based discovery of nonhallucinogenic psychedelic analogs. Science. 2022 Jan 28;375(6579):403-411.

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