Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T11241 Target Info
Target Name Sphingosine-1-phosphate receptor 3 (S1PR3)
Synonyms Sphingosine 1-phosphate receptor Edg-3; S1PR3; S1P3; S1P receptor Edg-3; S1P receptor 3; Endothelial differentiation G-protein coupled receptor 3
Target Type Patented-recorded Target
Gene Name S1PR3
Biochemical Class GPCR rhodopsin
UniProt ID
S1PR3_HUMAN
Ligand General Information  Top
Ligand Name Sphingosine-1-phosphate Ligand Info
Canonical SMILES CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)O
InChI 1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
InChIKey DUYSYHSSBDVJSM-KRWOKUGFSA-N
PubChem Compound ID 5283560
Drug Binding Sites of Target  Top
PDB ID: 7C4S      Sphingosine-1-phosphate receptor 3 with a natural ligand.
Method X-ray diffraction Resolution 3.20 Å Mutation Yes [1]
PDB Sequence
GQETLREHYQ
23
YVGKLAGRLK
33
EASEGSTLTT
43
VLFLVICSFI
53
VLENLMVLIA
63

IWKRMYFFIG
79
NLALCDLLAG
89
IAYKVNILMS
99
GKKTFSLSPT
109
VWFLREGSMF
119

VALGASTCSL
129
LAIAIERHLT
139
MIKMRPYDAN
149
KRHRVFLLIG
159
MCWLIAFTLG
169

ALPILGWNCL
179
HNLPDCSTIL
189
PLYSKKYIAF
199
CISIFTAILV
209
TIVILYARIY
219

FLVKSSERSM
239
ALLRTVVIVV
249
SVFIACWSPL
259
FILFLIDVAC
269
RVQACPILFK
279

AQWFIVLAVL
289
NSAMNPVIYT
299
LASKEMRRAF
309
FR
Residue
Distance (Å)
TYR22
2.584
LYS27
4.560
GLU37
2.969
ASN95
3.025
SER99
3.156
GLY100
2.963
THR103
3.286
ARG114
3.101
GLU115
2.847
MET118
4.083
PHE119
3.629
LEU122
3.758
GLY123
4.315
Residue
Distance (Å)
THR126
3.674
LEU168
3.761
LEU189
4.488
CYS200
4.734
ILE203
3.791
PHE204
4.410
ILE207
4.794
TRP256
3.610
LEU259
4.271
PHE260
4.035
PHE263
4.336
GLN281
4.942
ILE284
3.753
PDB ID: 7EW3      Cryo-EM structure of S1P-bound Sphingosine 1-phosphate receptor 3 in complex with Gi protein
Method Electron microscopy Resolution 3.10 Å Mutation No [2]
PDB Sequence
ETLREHYQYV
25
GKLAGRSTLT
42
TVLFLVICSF
52
IVLENLMVLI
62
AIWKNNKFHN
72

RMYFFIGNLA
82
LCDLLAGIAY
92
KVNILMSGKK
102
TFSLSPTVWF
112
LREGSMFVAL
122

GASTCSLLAI
132
AIERHLTMIK
142
MRPYDANKRH
152
RVFLLIGMCW
162
LIAFTLGALP
172

ILGWNCLHNL
182
PDCSTILPLY
192
SKKYIAFCIS
202
IFTAILVTIV
212
ILYARIYFLV
222

KSSSRKVANH
232
NNSERSMALL
242
RTVVIVVSVF
252
IACWSPLFIL
262
FLIDVACRVQ
272

ACPILFKAQW
282
FIVLAVLNSA
292
MNPVIYTLAS
302
KEMRRAFFRL
312
Residue
Distance (Å)
TYR22
2.929
LYS27
3.937
ARG31
2.725
ASN95
3.587
SER99
2.733
GLY100
4.954
THR103
3.964
TRP111
4.112
ARG114
3.832
GLU115
2.661
MET118
3.870
PHE119
3.466
LEU122
2.719
Residue
Distance (Å)
GLY123
4.282
LEU168
3.610
LEU189
4.439
CYS200
4.198
ILE203
3.938
PHE204
4.492
ILE207
4.976
TRP256
4.845
LEU259
4.119
PHE260
3.741
PHE263
4.091
ILE284
3.954
References  Top
REF 1 Endogenous agonist-bound S1PR3 structure reveals determinants of G protein-subtype bias. Sci Adv. 2021 Jun 9;7(24):eabf5325.
REF 2 Structural insights into sphingosine-1-phosphate recognition and ligand selectivity of S1PR3-Gi signaling complexes. Cell Res. 2022 Feb;32(2):218-221.

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