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 T13852 Target Info
Target Name Sphingosine-1-phosphate receptor 1 (S1PR1)
Synonyms Sphingosine 1-phosphate receptor Edg-1; S1P1; S1P receptor Edg-1; S1P receptor 1; Endothelial differentiation G-protein coupled receptor 1; CHEDG1; CD363
Target Type Successful Target
Gene Name S1PR1
Biochemical Class GPCR rhodopsin
UniProt ID
S1PR1_HUMAN
Ligand General Information  Top
Ligand Name (S)-FTY720P Ligand Info
Canonical SMILES CCCCCCCCC1=CC=C(C=C1)CCC(CO)(COP(=O)(O)O)N
InChI 1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
InChIKey LRFKWQGGENFBFO-IBGZPJMESA-N
PubChem Compound ID 11452022
Drug Binding Sites of Target  Top
PDB ID: 7VIF      Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with (S)-FTY720-P
Method Electron microscopy Resolution 2.83 Å Mutation No [1]
PDB Sequence
DIIVRHYNYT
32
GKLNTSVVFI
53
LICCFIILEN
63
IFVLLTIWKT
73
KKFHRPMYYF
83

IGNLALSDLL
93
AGVAYTANLL
103
LSGATTYKLT
113
PAQWFLREGS
123
MFVALSASVF
133

SLLAIAIERY
143
ITMLKMKLHN
153
GSNNFRLFLL
163
ISACWVISLI
173
LGGLPIMGWN
183

CISALSSCST
193
VLPLYHKHYI
203
LFCTTVFTLL
213
LLSIVILYCR
223
IYSLVRTRSR
233

RLTFEKSLAL
254
LKTVIIVLSV
264
FIACWAPLFI
274
LLLLDVGCKV
284
KTCDILFRAE
294

YFLVLAVLNS
304
GTNPIIYTLT
314
NKEMRRAFIR
324
Residue
Distance (Å)
TYR29
3.398
LYS34
4.549
ASN101
2.412
SER105
3.389
GLY106
3.184
THR109
3.182
ARG120
3.655
GLU121
3.410
MET124
4.563
PHE125
3.643
LEU128
3.934
Residue
Distance (Å)
SER129
3.637
VAL132
4.502
VAL194
4.453
LEU195
4.485
PHE210
4.186
TRP269
3.468
LEU272
3.635
LEU276
3.981
ALA293
4.888
LEU297
3.368
PDB ID: 7EO2      Cryo-EM of Sphingosine 1-phosphate receptor 1 / Gi complex bound to FTY720p
Method Electron microscopy Resolution 2.89 Å Mutation No [2]
PDB Sequence
VNYDIIVRHY
29
NYTGKLKLTS
49
VVFILICCFI
59
ILENIFVLLT
69
IWKTKKFHRP
79

MYYFIGNLAL
89
SDLLAGVAYT
99
ANLLLSGATT
109
YKLTPAQWFL
119
REGSMFVALS
129

ASVWSLLAIA
139
IERYITMLKM
149
KLHNFRLFLL
163
ISACWVISLI
173
LGGLPIMGWN
183

CISALSSCST
193
VLPLYHKHYI
203
LFCTTVFTLL
213
LLSIVILYCR
223
IYSLVRTRSR
233

RLTFKSLALL
255
KTVIIVLSVF
265
IACWAPLFIL
275
LLLDVGCKVK
285
TCDILFRAEY
295

FLVLAVLNSG
305
TNPIIYTLTN
315
KEMRRAFIRI
325
Residue
Distance (Å)
TYR29
2.556
LYS34
3.264
ASN101
3.284
SER105
3.567
GLY106
4.439
THR109
2.790
TRP117
4.235
ARG120
3.889
GLU121
3.341
MET124
3.727
PHE125
3.733
LEU128
3.187
Residue
Distance (Å)
SER129
4.371
VAL132
4.813
VAL194
4.869
LEU195
3.915
CYS206
4.363
VAL209
4.448
PHE210
3.937
TRP269
4.780
LEU272
3.789
LEU276
4.214
GLU294
4.152
LEU297
4.270
References  Top
REF 1 Structural insights into sphingosine-1-phosphate receptor activation. Proc Natl Acad Sci U S A. 2022 Apr 19;119(16):e2117716119.
REF 2 Structural basis of sphingosine-1-phosphate receptor 1 activation and biased agonism. Nat Chem Biol. 2022 Mar;18(3):281-288.

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