Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T80387 | Target Info | |||
| Target Name | GABA(A) receptor beta-2 (GABRB2) | ||||
| Synonyms | GABRB2; GABA(A) receptor subunit beta-2 | ||||
| Target Type | Successful Target | ||||
| Gene Name | GABRB2 | ||||
| Biochemical Class | Neurotransmitter receptor | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Cholesterol hemisuccinate | Ligand Info | |||
| Canonical SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C | ||||
| InChI | 1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1 | ||||
| InChIKey | WLNARFZDISHUGS-MIXBDBMTSA-N | ||||
| PubChem Compound ID | 65082 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6D6T Human GABA-A receptor alpha1-beta2-gamma2 subtype in complex with GABA and flumazenil, conformation B | ||||||
| Method | Electron microscopy | Resolution | 3.86 Å | Mutation | No | [1] |
| PDB Sequence |
NMSLVKETVD
17 RLLKGYDIRL27 RPDFGGPPVA37 VGMNIDIASI47 DMVSEVNMDY57 TLTMYFQQAW 67 RDKRLSYNVI77 PLNLTLDNRV87 ADQLWVPDTY97 FLNDKKSFVH107 GVTVKNRMIR 117 LHPDGTVLYG127 LRITTTAACM137 MDLRRYPLDE147 QNCTLEIESY157 GYTTDDIEFY 167 WRGDDNAVTG177 VTKIELPQFS187 IVDYKLITKK197 VVFSTGSYPR207 LSLSFKLKRN 217 IGYFILQTYM227 PSILITILSW237 VSFWINYDAS247 AARVALGITT257 VLTMTTINTH 267 LRETLPKIPY277 VKAIDMYLMG287 CFVFVFMALL297 EYALVNYIFF307 SQPARAAAID 317 RWSRIFFPVV327 FSFFNIVYWL337 YYV
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LEU231
3.729
ILE234
4.410
LEU235
3.812
VAL238
3.953
TRP241
3.090
ILE242
4.824
MET283
3.974
PHE291
4.209
MET294
3.641
GLU298
4.773
ILE316
4.416
TRP319
3.419
SER320
4.202
ARG321
3.962
|
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| PDB ID: 6D6U Human GABA-A receptor alpha1-beta2-gamma2 subtype in complex with GABA and flumazenil, conformation A | ||||||
| Method | Electron microscopy | Resolution | 3.92 Å | Mutation | No | [1] |
| PDB Sequence |
NMSLVKETVD
17 RLLKGYDIRL27 RPDFGGPPVA37 VGMNIDIASI47 DMVSEVNMDY57 TLTMYFQQAW 67 RDKRLSYNVI77 PLNLTLDNRV87 ADQLWVPDTY97 FLNDKKSFVH107 GVTVKNRMIR 117 LHPDGTVLYG127 LRITTTAACM137 MDLRRYPLDE147 QNCTLEIESY157 GYTTDDIEFY 167 WRGDDNAVTG177 VTKIELPQFS187 IVDYKLITKK197 VVFSTGSYPR207 LSLSFKLKRN 217 IGYFILQTYM227 PSILITILSW237 VSFWINYDAS247 AARVALGITT257 VLTMTTINTH 267 LRETLPKIPY277 VKAIDMYLMG287 CFVFVFMALL297 EYALVNYIFF307 SQPARAAAID 317 RWSRIFFPVV327 FSFFNIVYWL337 YYV
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of a human synaptic GABA(A) receptor. Nature. 2018 Jul;559(7712):67-72. | ||||
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