Target Binding Site Detail
| 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 | |||||
| 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: 7WF7 Cryo-EM of Sphingosine 1-phosphate receptor 1 / Gi complex bound to S1P | ||||||
| Method | Electron microscopy | Resolution | 3.40 Å | Mutation | No | [1] |
| PDB Sequence |
DIIVRHYNYT
32 GKLNKLTSVV51 FILICCFIIL61 ENIFVLLTIW71 KTKKFHRPMY81 YFIGNLALSD 91 LLAGVAYTAN101 LLLSGATTYK111 LTPAQWFLRE121 GSMFVALSAS131 VWSLLAIAIE 141 RYITMLKMKL151 HFRLFLLISA166 CWVISLILGG176 LPIMGWNCSA187 LSSCSTVLPL 197 YHKHYILFCT207 TVFTLLLLSI217 VILYCRIYSL227 VRTRSRRLTF237 LALLKTVIIV 261 LSVFIACWAP271 LFILLLLDVK283 VKTCDILFRA293 EYFLVLAVLN303 SGTNPIIYTL 313 TNKEMRRAFI323 R
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| PDB ID: 7TD3 Sphingosine-1-phosphate receptor 1-Gi complex bound to S1P | ||||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | Yes | [2] |
| PDB Sequence |
DYVNYDIIVR
27 HYNYTGKLNI37 SIKLTSVVFI53 LICCFIILEN63 IFVLLTIWKT73 KKFHRPMYYF 83 IGNLALSDLL93 AGVAYTANLL103 LSGATTYKLT113 PAQWFLREGS123 MFVALSASVF 133 SLLAIAIERY143 ITMLKMKLHN153 GSNNFRLFLL163 ISACWVISLI173 LGGLPIMGWN 183 CISALSSCST193 VLPLYHKHYI203 LFCTTVFTLL213 LLSIVILYCR223 IYSLVRTRSR 233 RLTFRKSEKS251 LALLKTVIIV261 LSVFIACWAP271 LFILLLLDVG281 CKVKTCDILF 291 RAEYFLVLAV301 LNSGTNPIIY311 TLTNKEMRRA321 FI
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TYR29
3.280
LYS34
3.352
ASN101
2.956
SER105
3.739
GLY106
3.146
THR109
2.396
ARG120
2.972
GLU121
3.236
MET124
3.801
PHE125
3.829
LEU128
3.859
SER129
3.594
VAL132
4.287
|
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| PDB ID: 7VIE Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with S1P | ||||||
| Method | Electron microscopy | Resolution | 2.86 Å | Mutation | No | [3] |
| PDB Sequence |
DIIVRHYNYT
32 GKTSVVFILI55 CCFIILENIF65 VLLTIWKTKK75 FHRPMYYFIG85 NLALSDLLAG 95 VAYTANLLLS105 GATTYKLTPA115 QWFLREGSMF125 VALSASVFSL135 LAIAIERYIT 145 MLKMKLHNGS155 NNFRLFLLIS165 ACWVISLILG175 GLPIMGWNCI185 SALSSCSTVL 195 PLYHKHYILF205 CTTVFTLLLL215 SIVILYCRIY225 SLVRTRSRRL235 TFEKSLALLK 256 TVIIVLSVFI266 ACWAPLFILL276 LLDVGCKVKT286 CDILFRAEYF296 LVLAVLNSGT 306 NPIIYTLTNK316 EMRRAFIR
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TYR29
3.658
LYS34
3.528
ASN101
2.959
SER105
3.083
GLY106
3.445
ARG120
4.152
GLU121
3.726
MET124
3.261
PHE125
3.420
LEU128
3.733
SER129
4.010
VAL132
4.812
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis of sphingosine-1-phosphate receptor 1 activation and biased agonism. Nat Chem Biol. 2022 Mar;18(3):281-288. | ||||
| REF 2 | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun. 2022 Feb 8;13(1):731. | ||||
| REF 3 | Structural insights into sphingosine-1-phosphate receptor activation. Proc Natl Acad Sci U S A. 2022 Apr 19;119(16):e2117716119. | ||||
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