Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
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
CCKAR_HUMAN
Ligand General Information  Top
Ligand Name tyrosine O-sulfate Ligand Info
Canonical SMILES C1=CC(=CC=C1CC(C(=O)O)N)OS(=O)(=O)O
InChI 1S/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1
InChIKey CIQHWLTYGMYQQR-QMMMGPOBSA-N
PubChem Compound ID 514186
Drug Binding Sites of Target  Top
PDB ID: 7MBY      Human Cholecystokinin 1 receptor (CCK1R) Gq chimera (mGsqi) complex
Method Electron microscopy Resolution 2.44 Å Mutation Yes [1]
PDB Sequence
EWQPAVQILL
47
YSLIFLLSVL
57
GNTLVITVLI
67
RNKRMRTVTN
77
IFLLSLAVSD
87

LMLCLFCMPF
97
NLIPNLLKDF
107
IFGSAVCKTT
117
TYFMGTSVSV
127
STFNLVAISL
137

ERYGAICKPL
147
QSRVWQTKSH
157
ALKVIAATWC
167
LSFTIMTPYP
177
IYSNLVPFTK
187

NNNQTANMCR
197
FLLPNDVMQQ
207
SWHTFLLLIL
217
FLIPGIVMMV
227
AYGLISLELY
237

QLMAKKRVIR
313
MLIVIVVLFF
323
LCWMPIFSAN
333
AWRAYDTASA
343
ERRLSGTPIS
353

FILLLSYTSS
363
CVNPIIYCFM
373
NKRFRLGFMA
383
TFP
Residue
Distance (Å)
PHE97
4.861
ASN98
4.857
PRO101
3.096
ASN102
3.599
LYS105
3.220
ASP106
3.734
PHE107
3.919
Residue
Distance (Å)
PHE185
4.083
ASN194
4.242
MET195
4.103
CYS196
4.180
ARG197
2.363
SER348
3.837
PDB ID: 7MBX      Human Cholecystokinin 1 receptor (CCK1R) Gs complex
Method Electron microscopy Resolution 1.95 Å Mutation Yes [1]
PDB Sequence
EWQPAVQILL
47
YSLIFLLSVL
57
GNTLVITVLI
67
RNKRMRTVTN
77
IFLLSLAVSD
87

LMLCLFCMPF
97
NLIPNLLKDF
107
IFGSAVCKTT
117
TYFMGTSVSV
127
STFNLVAISL
137

ERYGAICKPL
147
QSRVWQTKSH
157
ALKVIAATWC
167
LSFTIMTPYP
177
IYSNLVPFTK
187

NNNQTANMCR
197
FLLPNDVMQQ
207
SWHTFLLLIL
217
FLIPGIVMMV
227
AYGLISLELY
237

QGIKFESAAN
304
LMAKKRVIRM
314
LIVIVVLFFL
324
CWMPIFSANA
334
WRAYDTASAE
344

RRLSGTPISF
354
ILLLSYTSSC
364
VNPIIYCFMN
374
KRFRLGFMAT
384
FP
Residue
Distance (Å)
PHE97
4.924
PRO101
3.139
ASN102
3.981
LYS105
3.359
ASP106
3.621
PHE107
4.248
Residue
Distance (Å)
PHE185
3.876
ASN194
4.010
MET195
3.576
CYS196
3.108
ARG197
2.623
SER348
4.393
References  Top
REF 1 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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