Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T61722 | Target Info | |||
| Target Name | Prostaglandin D2 receptor 2 (PTGDR2) | ||||
| Synonyms | PTGDR2; Chemoattractant receptor-homologous molecule expressed on Th2 cells; CD294 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PTGDR2 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Cysteine-S-Acetamide | Ligand Info | |||
| Canonical SMILES | C(C(C(=O)O)N)SCC(=O)N | ||||
| InChI | 1S/C5H10N2O3S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 | ||||
| InChIKey | VFKYKPOTSJWPIU-VKHMYHEASA-N | ||||
| PubChem Compound ID | 17754220 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7M8W XFEL crystal structure of the prostaglandin D2 receptor CRTH2 in complex with 15R-methyl-PGD2 | ||||||
| Method | X-ray diffraction | Resolution | 2.61 Å | Mutation | Yes | [1] |
| PDB Sequence |
ANATLKPLCP
12 ILEQMSRLQS22 HSATSIRYID32 HAAVLLHGLA42 SLLGLVENGV52 ILFVVGCRMR 62 QTVVTTWVLH72 LALSDLLASA82 SLPFFTYFLA92 VGHSWELGTT102 FCKLHSSIFF 112 LNMFASGFLL122 SAISLDRCLQ132 VVRPVWAQNH142 RTVAAAHKVC152 LVLWALAVLN 162 TVPYFVFRDT172 ISRLDGRIMC182 YYNVLLLNPG192 PDRDATCNSR202 QAALAVSKFL 212 LAFLVPLAII222 ASSHAAVSLR232 LQHRADLGLQ905 HRNIFEEKLF1067 NQDVDAAVRG 1077 ILRNAKLKPV1087 YDSLDAVRRA1097 ALINMVFQMG1107 ETGVAGFTNS1117 LRMLQQKRWD 1127 EAAVNLAKSR1137 WYNQTPNRAK1147 RVITTFRTGT1157 WDAYRRRPGR243 FVRLVAAVVA 253 AFALCWGPYH263 VFSLLEARAH273 ANPGLRPLVW283 RGLPFVTSLA293 FFNSVANPVL 303 YVLTPDMLRK314 LRRSLRTVLE324 SVLVDD
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| PDB ID: 6D27 Crystal structure of the prostaglandin D2 receptor CRTH2 with CAY10471 | ||||||
| Method | X-ray diffraction | Resolution | 2.74 Å | Mutation | Yes | [2] |
| PDB Sequence |
ATLKPLCPIL
14 EQMSRLATSI28 RYIDHAAVLL38 HGLASLLGLV48 ENGVILFVVG58 CRMRQTVVTT 68 WVLHLALSDL78 LASASLPFFT88 YFLAVGHSWE98 LGTTFCKLHS108 SIFFLNMFAS 118 GFLLSAISLD128 RCLQVVRPVW138 AQNHRTVAAA148 HKVCLVLWAL158 AVLNTVPYFV 168 FRDTISRLDG178 RIMCYYNVLL188 LNPGPDRDAT198 CNSRQAALAV208 SKFLLAFLVP 218 LAIIASSHAA228 VSLRLQHRAD1239 LGLQHRNIFE1249 MLRIDEGGGS1259 GGDEAEKLFN 1269 QDVDAAVRGI1279 LRNAKLKPVY1289 DSLDAVRRAA1299 LINMVFQMGE1309 TGVAGFTNSL 1319 RMLQQKRWDE1329 AAVNLAKSRW1339 YNQTPNRAKR1349 VITTFRTGTW1359 DAYRRRPGRF 2244 VRLVAAVVAA2254 FALCWGPYHV2264 FSLLEARAHA2274 NPGLRPLVWR2284 GLPFVTSLAF 2294 FNSVANPVLY2304 VLTPDMLRKL2315 RRSLRTVLES2325 VL
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| PDB ID: 6D26 Crystal structure of the prostaglandin D2 receptor CRTH2 with fevipiprant | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [2] |
| PDB Sequence |
ATLKPLCPIL
14 EQMSRLQSHS24 ATSIRYIDHA34 AVLLHGLASL44 LGLVENGVIL54 FVVGCRMRQT 64 VVTTWVLHLA74 LSDLLASASL84 PFFTYFLAVG94 HSWELGTTFC104 KLHSSIFFLN 114 MFASGFLLSA124 ISLDRCLQVV134 RPVWAQNHRT144 VAAAHKVCLV154 LWALAVLNTV 164 PYFVFRDTIS174 RLDGRIMCYY184 NVLLLNPGPD194 RDATCNSRQA204 ALAVSKFLLA 214 FLVPLAIIAS224 SHAAVSLRLQ234 HRADLGLQHR1245 NIFEMLRIDE1255 GGGSGGDEAE 1265 KLFNQDVDAA1275 VRGILRNAKL1285 KPVYDSLDAV1295 RRAALINMVF1305 QMGETGVAGF 1315 TNSLRMLQQK1325 RWDEAAVNLA1335 KSRWYNQTPN1345 RAKRVITTFR1355 TGTWDAYRRR 2240 PGRFVRLVAA2250 VVAAFALCWG2260 PYHVFSLLEA2270 RAHANPGLRP2280 LVWRGLPFVT 2290 SLAFFNSVAN2300 PVLYVLTPDM2311 LRKLRRSLRT2321 VLESVL
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Molecular basis for lipid recognition by the prostaglandin D(2) receptor CRTH2. Proc Natl Acad Sci U S A. 2021 Aug 10;118(32):e2102813118. | ||||
| REF 2 | Structures of the Human PGD(2) Receptor CRTH2 Reveal Novel Mechanisms for Ligand Recognition. Mol Cell. 2018 Oct 4;72(1):48-59.e4. | ||||
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