Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T50089 Target Info
Target Name Sphingosine-1-phosphate receptor 5 (S1PR5)
Synonyms Sphingosine 1-phosphate receptor Edg-8; S1PR5; S1P5; S1P receptor Edg-8; S1P receptor 5; Endothelial differentiation G-protein-coupled receptor 8
Target Type Clinical trial Target
Gene Name S1PR5
Biochemical Class GPCR rhodopsin
UniProt ID
S1PR5_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: 1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidine-3-carboxylic acid Ligand Info
Structure Description Cryo-EM structure of siponimod -bound Sphingosine-1-phosphate receptor 5 in complex with Gi protein PDB:7EW1
Method Electron microscopy Resolution 3.40 Å Mutation No [1]
PDB Sequence
VIVLHYNYTG
23
KLRGRADAVV
42
CLAVCAFIVL
52
ENLAVLLVLG
62
RHAPMFLLLG
76

SLTLSDLLAG
86
AAYAANILLS
96
GPLTLKLSPA
106
LWFAREGGVF
116
VALTASVLSL
126

LAIALERSLT
136
MARRGPAPVS
146
SRGRTLAMAA
156
AAWGVSLLLG
166
LLPALGWNCL
176

GRLDACSTVL
186
PLYAKAYVLF
196
CVLAFVGILA
206
AICALYARIY
216
CQVRANARRL
226

RKPRSLALLR
251
TLSVVLLAFV
261
ACWGPLFLLL
271
LLDVACPART
281
CPVLLQADPF
291

LGLAMANSLL
301
NPIIYTLTN
Residue
Distance (Å)
TYR19
4.606
LYS24
2.578
ASN92
2.927
SER96
4.424
LEU101
4.845
TRP108
3.451
ARG111
4.129
GLU112
3.310
VAL115
4.032
PHE116
3.839
LEU119
3.590
THR120
3.196
VAL123
3.662
Residue
Distance (Å)
LEU124
4.581
VAL185
4.740
LEU186
4.025
CYS197
2.521
VAL198
4.261
ALA200
4.590
PHE201
4.055
TRP264
3.970
LEU267
2.769
LEU271
4.271
ALA288
3.665
LEU292
3.786
Ligand Name: 4-[6-(2-naphthalen-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butanoic acid Ligand Info
Structure Description XFEL crystal structure of the human sphingosine 1 phosphate receptor 5 in complex with ONO-5430608 PDB:7YXA
Method X-ray diffraction Resolution 2.20 Å Mutation Yes [2]
PDB Sequence
LRPAPVSEVI
15
VLHYNYTGKL
25
RGARYQPGAG
35
LRADAVVCLA
45
VCAFIVLENL
55

AVLLVLGRHP
65
RFHAPMFLLL
75
GSLTLSDLLA
85
GAAYAANILL
95
SGPLTLKLSP
105

ALWFAREGGV
115
FVALTASVLS
125
LLAIALERSL
135
TSRGRTLAMA
155
AAAWGVSLLL
165

GLLPALGWNC
175
LGRLDACSTV
185
LPLYAKAYVL
195
FCVLAFVGIL
205
AAICALYARI
215

YCQVRANAAD
1002
LEDNWETLND
1012
NLKVIEKADN
1022
AAQVKDALTK
1032
MRAAALDAQK
1042

AEMKDFRHGF
1065
DILVGQIDDA
1075
LKLANEGKVK
1085
EAQAAAEQLK
1095
TTRNARSLAL
249

LRTLSVVLLA
259
FVACWGPLFL
269
LLLLDVACPA
279
RTCPVLLQAD
289
PFLGLAMANS
299

LLNPIIYTLT
309
NRDLRHALLR
319
LVGRP
Residue
Distance (Å)
TYR19
1.543
LYS24
2.680
ARG37
3.690
CYS43
3.774
TYR89
3.079
ASN92
2.688
ILE93
2.775
SER96
4.884
THR100
4.539
TRP108
3.012
ARG111
1.782
GLU112
2.026
VAL115
2.625
Residue
Distance (Å)
PHE116
3.828
VAL185
2.452
LEU186
2.257
PRO187
2.534
TRP264
3.380
LEU267
2.302
ASP289
2.235
PRO290
4.463
PHE291
4.971
LEU292
2.197
GLY293
2.179
ALA295
2.490
MET296
2.517
References  Top
REF 1 Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition. Cell Res. 2021 Dec;31(12):1263-1274.
REF 2 Structural basis for receptor selectivity and inverse agonism in S1P(5) receptors. Nat Commun. 2022 Aug 12;13(1):4736.

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