Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T82543 | Target Info | |||
| Target Name | Neuronal acetylcholine receptor beta-2 (CHRNB2) | ||||
| Synonyms | Nicotinic acetylcholine receptor beta2; Nicotinic acetylcholine receptor beta 2-subunit protein; CHRNB2; Beta-2 nAChR; Alpha-4/beta-2 nicotinic receptor | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | CHRNB2 | ||||
| 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 |
DTEERLVEHL
11 LDPSRYNKLI21 RPATNGSELV31 TVQLMVSLAQ41 LISVHEREQI51 MTTNVWLTQE 61 WEDYRLTWKP71 EEFDNMKKVR81 LPSKHIWLPD91 VVLYNNADGM101 YEVSFYSNAV 111 VSYDGSIFWL121 PPAIYKSACK131 IEVKHFPFDQ141 QNCTMKFRSW151 TYDRTEIDLV 161 LKSEVASLDD171 FTPSGEWDIV181 ALPGRRNENP191 DDSTYVDITY201 DFIIRRKPLF 211 YTINLIIPCV221 LITSLAILVF231 YLPSDCGEKM241 TLCISVLLAL251 TVFLLLISKI 261 VPPTSLDVPL271 VGKYLMFTMV281 LVTFSIVTSV291 CVLNVHHRSP301 TTHTMAPWVK 311 VVFLEKLPAL321 LFMQQSVSED341 WKYVAMVIDR351 LFLWIFVFVC361 VFGTIGMF |
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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 |
TDTEERLVEH
10 LLDPSRYNKL20 IRPATNGSEL30 VTVQLMVSLA40 QLISVHEREQ50 IMTTNVWLTQ 60 EWEDYRLTWK70 PEEFDNMKKV80 RLPSKHIWLP90 DVVLYNNADG100 MYEVSFYSNA 110 VVSYDGSIFW120 LPPAIYKSAC130 KIEVKHFPFD140 QQNCTMKFRS150 WTYDRTEIDL 160 VLKSEVASLD170 DFTPSGEWDI180 VALPGRRNEN190 PDDSTYVDIT200 YDFIIRRKPL 210 FYTINLIIPC220 VLITSLAILV230 FYLPSDCGEK240 MTLCISVLLA250 LTVFLLLISK 260 IVPPTSLDVP270 LVGKYLMFTM280 VLVTFSIVTS290 VCVLNVHHRS300 PTTHTMAPWV 310 KVVFLEKLPA320 LLFSEDWKYV345 AMVIDRLFLW355 IFVFVCVFGT365 IGMFLQPL |
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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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