Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T20709 | Target Info | |||
| Target Name | Muscarinic acetylcholine receptor M4 (CHRM4) | ||||
| Synonyms | M4 receptor; CHRM4 | ||||
| Target Type | Successful Target | ||||
| Gene Name | CHRM4 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Adenosine | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N | ||||
| InChI | 1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | OIRDTQYFTABQOQ-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 60961 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6D9H Cryo-EM structure of the human adenosine A1 receptor-Gi2-protein complex bound to its endogenous agonist | ||||||
| Method | Electron microscopy | Resolution | 3.60 Å | Mutation | Yes | [1] |
| PDB Sequence |
ISAFQAAYIG
14 IEVLIALVSV24 PGNVLVIWAV34 KVNQALRDAT44 FCFIVSLAVA54 DVAVGALVIP 64 LAILINIGPQ74 TYFHTCLMVA84 CPVLILTQSS94 ILALLAIAVD104 RYLRVKIPLR 114 YKMVVTPRRA124 AVAIAGCWIL134 SFVVGLTPMF144 GWNNLSAVER154 AWAANGSMGE 164 PVIKCEFEKV174 ISMEYMVYFN184 FFVWVLPPLL194 LMVLIYLEVF204 YLIRKQLNKQ 223 KYYGKELKIA233 KSLALILFLF243 ALSWLPLHIL253 NCITLFCPSC263 HKPSILTYIA 273 IFLTHGNSAM283 NPIVYAFRIQ293 KFRVTFLK
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| PDB ID: 7LD3 Cryo-EM structure of the human adenosine A1 receptor-Gi2-protein complex bound to its endogenous agonist and an allosteric ligand | ||||||
| Method | Electron microscopy | Resolution | 3.20 Å | Mutation | No | [2] |
| PDB Sequence |
SISAFQAAYI
13 GIEVLIALVS23 VPGNVLVIWA33 VKVNQALRDA43 TFCFIVSLAV53 ADVAVGALVI 63 PLAILINIGP73 QTYFHTCLMV83 ACPVLILTQS93 SILALLAIAV103 DRYLRVKIPL 113 RYKMVVTPRR123 AAVAIAGCWI133 LSFVVGLTPM143 FGWNNLSAVE153 RAWAANGSMG 163 EPVIKCEFEK173 VISMEYMVYF183 NFFVWVLPPL193 LLMVLIYLEV203 FYLIRKQLNK 213 KYYGKELKIA233 KSLALILFLF243 ALSWLPLHIL253 NCITLFCPSC263 HKPSILTYIA 273 IFLTHGNSAM283 NPIVYAFRIQ293 KFRVTFLK
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| PDB ID: 7LD4 Cryo-EM structure of the human adenosine A1 receptor-Gi2-protein complex bound to its endogenous agonist | ||||||
| Method | Electron microscopy | Resolution | 3.30 Å | Mutation | No | [2] |
| PDB Sequence |
ISAFQAAYIG
14 IEVLIALVSV24 PGNVLVIWAV34 KVNQALRDAT44 FCFIVSLAVA54 DVAVGALVIP 64 LAILINIGPQ74 TYFHTCLMVA84 CPVLILTQSS94 ILALLAIAVD104 RYLRVKIPLR 114 YKMVVTPRRA124 AVAIAGCWIL134 SFVVGLTPMF144 GWNNLSAVER154 AWAANGSMGE 164 PVIKCEFEKV174 ISMEYMVYFN184 FFVWVLPPLL194 LMVLIYLEVF204 YLIRKQLNKK 224 YYGKELKIAK234 SLALILFLFA244 LSWLPLHILN254 CITLFCPSCH264 KPSILTYIAI 274 FLTHGNSAMN284 PIVYAFRIQK294 FRVTFLK
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of the adenosine-bound human adenosine A(1) receptor-G(i) complex. Nature. 2018 Jun;558(7711):559-563. | ||||
| REF 2 | Positive allosteric mechanisms of adenosine A(1) receptor-mediated analgesia. Nature. 2021 Sep;597(7877):571-576. | ||||
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