Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T28330 | Target Info | |||
| Target Name | Cholecystokinin receptor type A (CCKAR) | ||||
| Synonyms | CCKAR; CCK-AR; CCK-A receptor | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | CCKAR | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: SR-146131 | Ligand Info | |||||
| Structure Description | Structural insights into human brain gut peptide cholecystokinin receptors | PDB:7XOV | ||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | Yes | [1] |
| PDB Sequence |
AVQILLYSLI
51 FLLSVLGNTL61 VITVLIRNKR71 MRTVTNIFLL81 SLAVSDLMLC91 LFCMPFNLIP 101 NLLKDFIFGS111 AVCKTTTYFM121 GTSVSVSTFN131 LVAISLERYG141 AICKPLQSRV 151 WQTKSHALKV161 IAATWCLSFT171 IMTPYPIYSN181 LVPFTKNNNQ191 TANMCRFLLP 201 NDVMQQSWHT211 FLLLILFLIP221 GIVMMVAYGL231 ISLELYQGIK241 FEASAANLMA 307 KKRVIRMLIV317 IVVLFFLCWM327 PIFSANAWRA337 YDTASAERRL347 SGTPISFILL 357 LSYTSSCVNP367 IIYCFMNKRF377 RLGFMATF
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LEU90
4.406
CYS94
3.779
ASN98
3.299
LEU99
3.247
ASN102
3.861
THR118
3.571
MET121
3.494
GLY122
2.919
THR123
4.840
VAL125
4.041
SER126
4.911
MET173
3.138
TYR176
2.432
TYR179
3.580
ARG197
3.253
LEU213
4.611
|
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| Ligand Name: Devazepide | Ligand Info | |||||
| Structure Description | Crystal structure of the cholecystokinin receptor CCKAR in complex with devazepide | PDB:7F8Y | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [2] |
| PDB Sequence |
KEWQPAVQIL
46 LYSLIFLLSV56 LGNTLVITVL66 IRNKRMRTVT76 NIFLLSLAVS86 NLMLCLFCMP 96 FNLIPNLLKD106 FIFGSAVCKT116 TTYFMGTSVS126 VSTWNLVAIS136 LERYGAICKP 146 LQSRVWQTKS156 HALKVIAATW166 CLSFTIMTPY176 PIYSNLVPFT186 KNNNQTANMC 196 RFLLPNDVMQ206 QSWHTFLLLI216 LFLIPGIVMM226 VAYGLISLEL236 YQGINIFEML 1246 RIDEGLRLKI1256 YKDTEGYYTI1266 GIGHLLTKSP1276 SLNAAKSELD1286 KAIGRNTNGV 1296 ITKDEAEKLF1306 NQDVDAAVRG1316 ILRNAKLKPV1326 YDSLDAVRRA1336 ALINMVFQMG 1346 ETGVAGFTNS1356 LRMLQQKRWD1366 EAAVNLAKSR1376 WYNQTPNRAK1386 RVITTFRTGT 1396 WDAYAANLMA307 KKRVIRMLIV317 IVVLFFLCWM327 PIFSANAWRA337 YDTASAERRL 347 SGTPISFILL357 LSYTSSCVNP367 IIYCFMNK
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PHE97
4.869
ASN98
3.041
THR117
3.381
THR118
3.437
MET121
3.584
GLY122
4.202
TYR176
3.839
CYS196
3.245
ARG197
4.097
PHE198
4.291
ILE329
4.149
|
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| Ligand Name: Lintitript | Ligand Info | |||||
| Structure Description | Crystal structure of the cholecystokinin receptor CCKAR in complex with lintitript | PDB:7F8U | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [2] |
| PDB Sequence |
KEWQPAVQIL
46 LYSLIFLLSV56 LGNTLVITVL66 IRNKRMRTVT76 NIFLLSLAVS86 NLMLCLFCMP 96 FNLIPNLLKD106 FIFGSAVCKT116 TTYFMGTSVS126 VSTWNLVAIS136 LERYGAICKP 146 LQSRVWQTKS156 HALKVIAATW166 CLSFTIMTPY176 PIYSNLVPFT186 KNNNQTANMC 196 RFLLPNDVMQ206 QSWHTFLLLI216 LFLIPGIVMM226 VAYGLISLEL236 YQGINIFEML 1246 RIDEGLRLKI1256 YKDTEGYYTI1266 GIGHLLTKSP1276 SLNAAKSELD1286 KAIGRNTNGV 1296 ITKDEAEKLF1306 NQDVDAAVRG1316 ILRNAKLKPV1326 YDSLDAVRRA1336 ALINMVFQMG 1346 ETGVAGFTNS1356 LRMLQQKRWD1366 EAAVNLAKSR1376 WYNQTPNRAK1386 RVITTFRTGT 1396 WDAYAANLMA307 KKRVIRMLIV317 IVVLFFLCWM327 PIFSANAWRA337 YDTASAERRL 347 SGTPISFILL357 LSYTSSCVNP367 IIYCFMNK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1OE or .1OE2 or .1OE3 or :31OE;style chemicals stick;color identity;select .A:98 or .A:118 or .A:121 or .A:122 or .A:125 or .A:176 or .A:197 or .A:326 or .A:329 or .A:330 or .A:332 or .A:333 or .A:336 or .A:343 or .A:344 or .A:347 or .A:348 or .A:352 or .A:356; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Cholesterol hemisuccinate | Ligand Info | |||||
| Structure Description | Human Cholecystokinin 1 receptor (CCK1R) Gs complex | PDB:7MBX | ||||
| Method | Electron microscopy | Resolution | 1.95 Å | Mutation | Yes | [3] |
| PDB Sequence |
EWQPAVQILL
47 YSLIFLLSVL57 GNTLVITVLI67 RNKRMRTVTN77 IFLLSLAVSD87 LMLCLFCMPF 97 NLIPNLLKDF107 IFGSAVCKTT117 TYFMGTSVSV127 STFNLVAISL137 ERYGAICKPL 147 QSRVWQTKSH157 ALKVIAATWC167 LSFTIMTPYP177 IYSNLVPFTK187 NNNQTANMCR 197 FLLPNDVMQQ207 SWHTFLLLIL217 FLIPGIVMMV227 AYGLISLELY237 QGIKFESAAN 304 LMAKKRVIRM314 LIVIVVLFFL324 CWMPIFSANA334 WRAYDTASAE344 RRLSGTPISF 354 ILLLSYTSSC364 VNPIIYCFMN374 KRFRLGFMAT384 FP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Y01 or .Y012 or .Y013 or :3Y01;style chemicals stick;color identity;select .R:73 or .R:78 or .R:81 or .R:82 or .R:85 or .R:89 or .R:120 or .R:155 or .R:159 or .R:162 or .R:166 or .R:170; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: tyrosine O-sulfate | Ligand Info | |||||
| Structure Description | Human Cholecystokinin 1 receptor (CCK1R) Gs complex | PDB:7MBX | ||||
| Method | Electron microscopy | Resolution | 1.95 Å | Mutation | Yes | [3] |
| PDB Sequence |
EWQPAVQILL
47 YSLIFLLSVL57 GNTLVITVLI67 RNKRMRTVTN77 IFLLSLAVSD87 LMLCLFCMPF 97 NLIPNLLKDF107 IFGSAVCKTT117 TYFMGTSVSV127 STFNLVAISL137 ERYGAICKPL 147 QSRVWQTKSH157 ALKVIAATWC167 LSFTIMTPYP177 IYSNLVPFTK187 NNNQTANMCR 197 FLLPNDVMQQ207 SWHTFLLLIL217 FLIPGIVMMV227 AYGLISLELY237 QGIKFESAAN 304 LMAKKRVIRM314 LIVIVVLFFL324 CWMPIFSANA334 WRAYDTASAE344 RRLSGTPISF 354 ILLLSYTSSC364 VNPIIYCFMN374 KRFRLGFMAT384 FP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TYS or .TYS2 or .TYS3 or :3TYS;style chemicals stick;color identity;select .R:97 or .R:101 or .R:102 or .R:105 or .R:106 or .R:107 or .R:185 or .R:194 or .R:195 or .R:196 or .R:197 or .R:348; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural insights into human brain-gut peptide cholecystokinin receptors. Cell Discov. 2022 Jun 7;8(1):55. | ||||
| REF 2 | Structures of the human cholecystokinin receptors bound to agonists and antagonists. Nat Chem Biol. 2021 Dec;17(12):1230-1237. | ||||
| REF 3 | Structures of the human cholecystokinin 1 (CCK1) receptor bound to Gs and Gq mimetic proteins provide insight into mechanisms of G protein selectivity. PLoS Biol. 2021 Jun 4;19(6):e3001295. | ||||
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