Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Fevipiprant | Ligand Info | |||||
| Structure Description | Crystal structure of the prostaglandin D2 receptor CRTH2 with fevipiprant | PDB:6D26 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [1] |
| 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
|
|||||
|
|
MET17
3.503
PHE87
3.385
PHE90
3.643
LEU91
4.881
HIS95
3.659
HIS107
4.303
SER108
4.344
PHE111
3.480
PHE112
3.527
ARG170
2.292
ARG175
3.587
ILE180
4.781
MET181
3.291
|
|||||
| Ligand Name: 15(R)-15-methyl-PGD2 | Ligand Info | |||||
| Structure Description | XFEL crystal structure of the prostaglandin D2 receptor CRTH2 in complex with 15R-methyl-PGD2 | PDB:7M8W | ||||
| Method | X-ray diffraction | Resolution | 2.61 Å | Mutation | Yes | [2] |
| 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
|
|||||
|
|
MET17
4.206
PHE87
3.710
PHE90
3.755
TRP97
3.609
HIS107
3.525
SER108
4.084
PHE111
3.489
PHE112
3.218
ARG170
2.483
ARG175
4.542
MET181
3.835
CYS182
2.807
|
|||||
| Ligand Name: Oleic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the prostaglandin D2 receptor CRTH2 with CAY10471 | PDB:6D27 | ||||
| Method | X-ray diffraction | Resolution | 2.74 Å | Mutation | Yes | [1] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OLA or .OLA2 or .OLA3 or :3OLA;style chemicals stick;color identity;select .A:51 or .A:54 or .A:55 or .A:58 or .A:59 or .A:63 or .A:68 or .A:71 or .A:72 or .A:78 or .A:149 or .A:2250 or .A:2253 or .A:2254 or .A:2257 or .A:2258 or .A:2292 or .A:2295 or .A:2298 or .A:2299 or .A:2303; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY51
3.945
LEU54
3.891
PHE55
4.552
GLY58
4.286
CYS59
4.103
GLN63
4.126
THR68
4.377
LEU71
3.630
HIS72
3.488
LEU78
4.592
HIS149
2.394
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Cysteine-S-Acetamide | Ligand Info | |||||
| Structure Description | XFEL crystal structure of the prostaglandin D2 receptor CRTH2 in complex with 15R-methyl-PGD2 | PDB:7M8W | ||||
| Method | X-ray diffraction | Resolution | 2.61 Å | Mutation | Yes | [2] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YCM or .YCM2 or .YCM3 or :3YCM;style chemicals stick;color identity;select .A:61 or .A:243 or .A:244 or .A:246 or .A:303 or .A:304 or .A:305 or .A:306 or .A:307 or .A:309 or .A:310 or .A:311 or .A:312; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: {3-[((R)-4-Fluoro-benzenesulfonyl)-methyl-amino]-1,2,3,4-tetrahydro-carbazol-9-yl}-acetic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the prostaglandin D2 receptor CRTH2 with CAY10471 | PDB:6D27 | ||||
| Method | X-ray diffraction | Resolution | 2.74 Å | Mutation | Yes | [1] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FT4 or .FT42 or .FT43 or :3FT4;style chemicals stick;color identity;select .A:17 or .A:87 or .A:90 or .A:95 or .A:107 or .A:108 or .A:111 or .A:112 or .A:170 or .A:181 or .A:182 or .A:183 or .A:184 or .A:210 or .A:2262 or .A:2269 or .A:2282 or .A:2283 or .A:2286 or .A:2287 or .A:2290 or .A:2294; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
MET17
3.506
PHE87
4.203
PHE90
4.173
HIS95
4.631
HIS107
4.334
SER108
4.248
PHE111
3.516
PHE112
3.948
ARG170
2.868
MET181
4.350
CYS182
4.326
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structures of the Human PGD(2) Receptor CRTH2 Reveal Novel Mechanisms for Ligand Recognition. Mol Cell. 2018 Oct 4;72(1):48-59.e4. | ||||
| REF 2 | 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. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.