Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T70967 | Target Info | |||
| Target Name | Neuronal acetylcholine receptor alpha-4 (CHRNA4) | ||||
| Synonyms | Nicotinic acetylcholine receptor alpha4; CHRNA4; Alpha-4 nAChR | ||||
| Target Type | Successful Target | ||||
| Gene Name | CHRNA4 | ||||
| Biochemical Class | Neurotransmitter receptor | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Nicotine | Ligand Info | |||
| Canonical SMILES | CN1CCCC1C2=CN=CC=C2 | ||||
| InChI | 1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | ||||
| InChIKey | SNICXCGAKADSCV-JTQLQIEISA-N | ||||
| PubChem Compound ID | 89594 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6CNJ Structure of the 2alpha3beta stiochiometry of the human Alpha4Beta2 nicotinic receptor | ||||||
| Method | Electron microscopy | Resolution | 3.70 Å | Mutation | No | [1] |
| PDB Sequence |
ETRAHAEERL
14 LKKLFSGYNK24 WSRPVANISD34 VVLVRFGLSI44 AQLIDVDEKN54 QMMTTNVWVK 64 QEWHDYKLRW74 DPADYENVTS84 IRIPSELIWR94 PDIVLYNNAD104 GDFAVTHLTK 114 AHLFHDGRVQ124 WTPPAIYKSS134 CSIDVTFFPF144 DQQNCTMKFG154 SWTYDKAKID 164 LVNMHSRVDQ174 LDFWESGEWV184 IVDAVGTYNT194 RKYECCAEIY204 PDITYAFVIR 214 RLPLFYTINL224 IIPCLLISCL234 TVLVFYLPSE244 CGEKITLCIS254 VLLSLTVFLL 264 LITEIIPSTS274 LVIPLIGEYL284 LFTMIFVTLS294 IVITVFVLNV304 HHRSPRTHTM 314 PTWVRRVFLD324 IVPRLLLMKR334 FERSVKEDWK351 YVAMVIDRIF361 LWMFIIVCLL 371 GTVGLFLPPW381
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| PDB ID: 6CNK Structure of the 3alpha2beta stiochiometry of the human Alpha4Beta2 nicotinic receptor | ||||||
| Method | Electron microscopy | Resolution | 3.90 Å | Mutation | No | [1] |
| PDB Sequence |
ETRAHAEERL
14 LKKLFSGYNK24 WSRPVANISD34 VVLVRFGLSI44 AQLIDVDEKN54 QMMTTNVWVK 64 QEWHDYKLRW74 DPADYENVTS84 IRIPSELIWR94 PDIVLYNNAD104 GDFAVTHLTK 114 AHLFHDGRVQ124 WTPPAIYKSS134 CSIDVTFFPF144 DQQNCTMKFG154 SWTYDKAKID 164 LVNMHSRVDQ174 LDFWESGEWV184 IVDAVGTYNT194 RKYECCAEIY204 PDITYAFVIR 214 RLPLFYTINL224 IIPCLLISCL234 TVLVFYLPSE244 CGEKITLCIS254 VLLSLTVFLL 264 LITEIIPSTS274 LVIPLIGEYL284 LFTMIFVTLS294 IVITVFVLNV304 HHRSPRTHTM 314 PTWVRRVFLD324 IVPRLLLMKR334 FERSVKEDWK351 YVAMVIDRIF361 LWMFIIVCLL 371 GTVGLFLPPW381
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| PDB ID: 5KXI X-ray structure of the human Alpha4Beta2 nicotinic receptor | ||||||
| Method | X-ray diffraction | Resolution | 3.94 Å | Mutation | No | [2] |
| PDB Sequence |
AHAEERLLKK
17 LFSGYNKWSR27 PVANISDVVL37 VRFGLSIAQL47 IDVDEKNQMM57 TTNVWVKQEW 67 HDYKLRWDPA77 DYENVTSIRI87 PSELIWRPDI97 VLYNNADGDF107 AVTHLTKAHL 117 FHDGRVQWTP127 PAIYKSSCSI137 DVTFFPFDQQ147 NCTMKFGSWT157 YDKAKIDLVN 167 MHSRVDQLDF177 WESGEWVIVD187 AVGTYNTRKY197 ECCAEIYPDI207 TYAFVIRRLP 217 LFYTINLIIP227 CLLISCLTVL237 VFYLPSECGE247 KITLCISVLL257 SLTVFLLLIT 267 EIIPSTSLVI277 PLIGEYLLFT287 MIFVTLSIVI297 TVFVLNVHHR307 SPRTHTMPTW 317 VRRVFLDIVP327 RLLLERSVKE348 DWKYVAMVID358 RIFLWMFIIV368 CLLGTVGLFL 378 PPW
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural principles of distinct assemblies of the human Alpha4beta2 nicotinic receptor. Nature. 2018 May;557(7704):261-265. | ||||
| REF 2 | X-ray structure of the human Alpha4beta2 nicotinic receptor. Nature. 2016 Oct 20;538(7625):411-415. | ||||
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