Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T92640 | Target Info | |||
| Target Name | Lysophosphatidic acid receptor 1 (LPAR1) | ||||
| Synonyms | Lysophosphatidic acid receptor Edg-2; LPA1; LPA-1; LPA receptor 1; EDG2; EDG 2 receptor | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | LPAR1 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | (2r)-2-Hydroxy-3-(Phosphonooxy)propyl (9e)-Octadec-9-Enoate | Ligand Info | |||
| Canonical SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O | ||||
| InChI | 1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9+/t20-/m1/s1 | ||||
| InChIKey | WRGQSWVCFNIUNZ-SQUSKLHYSA-N | ||||
| PubChem Compound ID | 49837858 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7TD0 Lysophosphatidic acid receptor 1-Gi complex bound to LPA | ||||||
| Method | Electron microscopy | Resolution | 2.83 Å | Mutation | Yes | [1] |
| PDB Sequence |
QCFYNESIAF
32 FYNRSGKHLA42 TEWNTVSKLV52 MGLGITVCIF62 IMLANLLVMV72 AIYVNRRFHF 82 PIYYLMANLA92 AADFFAGLAY102 FYLMFNTGPN112 TRRLTVSTWL122 LRQGLIDTSL 132 TASVANLLAI142 AIERHITVFR152 MQLHTRMSNR162 RVVVVIVVIW172 TMAIVMGAIP 182 SVGWNCICDI192 ENCSNMAPLY202 SDSYLVFWAI212 FNLVTFVVMV222 VLYAHIFGYV 232 RQRTMRMDTM253 MSLLKTVVIV263 LGAFIICWTP273 GLVLLLLDVC283 CPQCDVLAYE 293 KFFLLLAEFN303 SAMNPIIYSY313 RDKEMSATFR323
|
|||||
|
|
TYR34
2.408
LYS39
2.475
HIS40
4.613
TYR102
4.756
LEU105
2.490
THR109
2.379
GLY110
2.634
THR113
2.182
TRP121
4.720
ARG124
2.503
GLN125
2.059
ILE128
2.557
ASP129
2.796
LEU132
2.217
THR133
4.597
SER196
4.207
MET198
2.331
|
|||||
| PDB ID: 7TD1 Lysophosphatidic acid receptor 1-Gi complex bound to LPA, state a | ||||||
| Method | Electron microscopy | Resolution | 3.08 Å | Mutation | Yes | [1] |
| PDB Sequence |
QCFYNESIAF
32 FYNRSGKHLA42 TEWNTVSKLV52 MGLGITVCIF62 IMLANLLVMV72 AIYVNRRFHF 82 PIYYLMANLA92 AADFFAGLAY102 FYLMFNTGPN112 TRRLTVSTWL122 LRQGLIDTSL 132 TASVANLLAI142 AIERHITVFR152 MQLHTRMSNR162 RVVVVIVVIW172 TMAIVMGAIP 182 SVGWNCICDI192 ENCSNMAPLY202 SDSYLVFWAI212 FNLVTFVVMV222 VLYAHIFGYV 232 RQRTMRMSRR250 DTMMSLLKTV260 VIVLGAFIIC270 WTPGLVLLLL280 DVCCPQCDVL 290 AYEKFFLLLA300 EFNSAMNPII310 YSYRDKEMSA320 TFR
|
|||||
|
|
TYR34
1.868
LYS39
2.096
LEU105
2.701
ASN108
4.421
THR109
2.439
GLY110
3.068
THR113
2.723
TRP121
3.962
ARG124
2.727
GLN125
2.150
ILE128
2.579
ASP129
2.465
LEU132
2.213
SER196
4.398
MET198
2.709
ALA199
2.306
|
|||||
| PDB ID: 7TD2 Lysophosphatidic acid receptor 1-Gi complex bound to LPA, state a | ||||||
| Method | Electron microscopy | Resolution | 3.11 Å | Mutation | Yes | [1] |
| PDB Sequence |
QCFYNESIAF
32 FYNRSGKHLA42 TEWNTVSKLV52 MGLGITVCIF62 IMLANLLVMV72 AIYVNRRFHF 82 PIYYLMANLA92 AADFFAGLAY102 FYLMFNTGPN112 TRRLTVSTWL122 LRQGLIDTSL 132 TASVANLLAI142 AIERHITVFR152 MQLHTRMSNR162 RVVVVIVVIW172 TMAIVMGAIP 182 SVGWNCICDI192 ENCSNMAPLY202 SDSYLVFWAI212 FNLVTFVVMV222 VLYAHIFGYV 232 RQRTMRMNRD251 TMMSLLKTVV261 IVLGAFIICW271 TPGLVLLLLD281 VCCPQCDVLA 291 YEKFFLLLAE301 FNSAMNPIIY311 SYRDKEMSAT321 F
|
|||||
|
|
TYR34
1.704
LYS39
1.812
TYR102
4.582
LEU105
2.588
THR109
2.318
GLY110
2.583
THR113
2.730
TRP121
4.040
ARG124
1.833
GLN125
2.460
ILE128
3.246
ASP129
2.437
LEU132
2.209
SER196
4.083
MET198
2.838
ALA199
2.482
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun. 2022 Feb 8;13(1):731. | ||||
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