Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Propofol | Ligand Info | |||||
| Structure Description | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus propofol | PDB:6X3T | ||||
| Method | Electron microscopy | Resolution | 2.55 Å | Mutation | No | [1] |
| PDB Sequence |
SNMSLVKETV
16 DRLLKGYDIR26 LRPDFGGPPV36 AVGMNIDIAS46 IDMVSEVNMD56 YTLTMYFQQA 66 WRDKRLSYNV76 IPLNLTLDNR86 VADQLWVPDT96 YFLNDKKSFV106 HGVTVKNRMI 116 RLHPDGTVLY126 GLRITTTAAC136 MMDLRRYPLD146 EQNCTLEIES156 YGYTTDDIEF 166 YWRGDDNAVT176 GVTKIELPQF186 SIVDYKLITK196 KVVFSTGSYP206 RLSLSFKLKR 216 NIGYFILQTY226 MPSILITILS236 WVSFWINYDA246 SAARVALGIT256 TVLTMTTINT 266 HLRETLPKIP276 YVKAIDMYLM286 GCFVFVFMAL296 LEYALVNYIF306 FSQPARAAAI 316 DRWSRIFFPV326 VFSFFNIVYW336 LYYV
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| Ligand Name: Zolpidem | Ligand Info | |||||
| Structure Description | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus Zolpidem | PDB:8DD2 | ||||
| Method | Electron microscopy | Resolution | 2.90 Å | Mutation | No | [2] |
| PDB Sequence |
SNMSLVKETV
16 DRLLKGYDIR26 LRPDFGGPPV36 AVGMNIDIAS46 IDMVSEVNMD56 YTLTMYFQQA 66 WRDKRLSYNV76 IPLNLTLDNR86 VADQLWVPDT96 YFLNDKKSFV106 HGVTVKNRMI 116 RLHPDGTVLY126 GLRITTTAAC136 MMDLRRYPLD146 EQNCTLEIES156 YGYTTDDIEF 166 YWRGDDNAVT176 GVTKIELPQF186 SIVDYKLITK196 KVVFSTGSYP206 RLSLSFKLKR 216 NIGYFILQTY226 MPSILITILS236 WVSFWINYDA246 SAARVALGIT256 TVLTMTTINT 266 HLRETLPKIP276 YVKAIDMYLM286 GCFVFVFMAL296 LEYALVNYIF306 FSQPARAAAI 316 DRWSRIFFPV326 VFSFFNIVYW336 LYYV
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| Ligand Name: Diazepam | Ligand Info | |||||
| Structure Description | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus diazepam | PDB:6X3X | ||||
| Method | Electron microscopy | Resolution | 2.92 Å | Mutation | No | [1] |
| PDB Sequence |
SNMSLVKETV
16 DRLLKGYDIR26 LRPDFGGPPV36 AVGMNIDIAS46 IDMVSEVNMD56 YTLTMYFQQA 66 WRDKRLSYNV76 IPLNLTLDNR86 VADQLWVPDT96 YFLNDKKSFV106 HGVTVKNRMI 116 RLHPDGTVLY126 GLRITTTAAC136 MMDLRRYPLD146 EQNCTLEIES156 YGYTTDDIEF 166 YWRGDDNAVT176 GVTKIELPQF186 SIVDYKLITK196 KVVFSTGSYP206 RLSLSFKLKR 216 NIGYFILQTY226 MPSILITILS236 WVSFWINYDA246 SAARVALGIT256 TVLTMTTINT 266 HLRETLPKIP276 YVKAIDMYLM286 GCFVFVFMAL296 LEYALVNYIF306 FSQPARAAAI 316 DRWSRIFFPV326 VFSFFNIVYW336 LYYV
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DZP or .DZP2 or .DZP3 or :3DZP;style chemicals stick;color identity;select .A:223 or .A:224 or .A:227 or .A:228 or .A:231 or .A:264 or .A:261 or .A:262 or .A:265 or .A:282 or .A:285 or .A:286 or .A:289; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Phenobarbital | Ligand Info | |||||
| Structure Description | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus phenobarbital | PDB:6X3W | ||||
| Method | Electron microscopy | Resolution | 3.30 Å | Mutation | No | [1] |
| PDB Sequence |
SNMSLVKETV
16 DRLLKGYDIR26 LRPDFGGPPV36 AVGMNIDIAS46 IDMVSEVNMD56 YTLTMYFQQA 66 WRDKRLSYNV76 IPLNLTLDNR86 VADQLWVPDT96 YFLNDKKSFV106 HGVTVKNRMI 116 RLHPDGTVLY126 GLRITTTAAC136 MMDLRRYPLD146 EQNCTLEIES156 YGYTTDDIEF 166 YWRGDDNAVT176 GVTKIELPQF186 SIVDYKLITK196 KVVFSTGSYP206 RLSLSFKLKR 216 NIGYFILQTY226 MPSILITILS236 WVSFWINYDA246 SAARVALGIT256 TVLTMTTINT 266 HLRETLPKIP276 YVKAIDMYLM286 GCFVFVFMAL296 LEYALVNYIF306 FSQPARAAAI 316 DRWSRIFFPV326 VFSFFNIVYW336 LYYV
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UQA or .UQA2 or .UQA3 or :3UQA;style chemicals stick;color identity;select .A:222 or .A:223 or .A:224 or .A:227 or .A:228 or .A:231; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Etomidate | Ligand Info | |||||
| Structure Description | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus etomidate | PDB:6X3V | ||||
| Method | Electron microscopy | Resolution | 3.50 Å | Mutation | No | [1] |
| PDB Sequence |
SNMSLVKETV
16 DRLLKGYDIR26 LRPDFGGPPV36 AVGMNIDIAS46 IDMVSEVNMD56 YTLTMYFQQA 66 WRDKRLSYNV76 IPLNLTLDNR86 VADQLWVPDT96 YFLNDKKSFV106 HGVTVKNRMI 116 RLHPDGTVLY126 GLRITTTAAC136 MMDLRRYPLD146 EQNCTLEIES156 YGYTTDDIEF 166 YWRGDDNAVT176 GVTKIELPQF186 SIVDYKLITK196 KVVFSTGSYP206 RLSLSFKLKR 216 NIGYFILQTY226 MPSILITILS236 WVSFWINYDA246 SAARVALGIT256 TVLTMTTINT 266 HLRETLPKIP276 YVKAIDMYLM286 GCFVFVFMAL296 LEYALVNYIF306 FSQPARAAAI 316 DRWSRIFFPV326 VFSFFNIVYW336 LYYV
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .V8D or .V8D2 or .V8D3 or :3V8D;style chemicals stick;color identity;select .A:261 or .A:262 or .A:265 or .A:282 or .A:285 or .A:286 or .A:289 or .A:290; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Alpha-D-Mannose | Ligand Info | |||||
| Structure Description | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with bicuculline methbromide | PDB:6X3S | ||||
| Method | Electron microscopy | Resolution | 3.12 Å | Mutation | No | [1] |
| PDB Sequence |
SNMSLVKETV
16 DRLLKGYDIR26 LRPDFGGPPV36 AVGMNIDIAS46 IDMVSEVNMD56 YTLTMYFQQA 66 WRDKRLSYNV76 IPLNLTLDNR86 VADQLWVPDT96 YFLNDKKSFV106 HGVTVKNRMI 116 RLHPDGTVLY126 GLRITTTAAC136 MMDLRRYPLD146 EQNCTLEIES156 YGYTTDDIEF 166 YWRGDDNAVT176 GVTKIELPQF186 SIVDYKLITK196 KVVFSTGSYP206 RLSLSFKLKR 216 NIGYFILQTY226 MPSILITILS236 WVSFWINYDA246 SAARVALGIT256 TVLTMTTINT 266 HLRETLPKIP276 YVKAIDMYLM286 GCFVFVFMAL296 LEYALVNYIF306 FSQPARAAAI 316 DRWSRIFFPV326 VFSFFNIVYW336 LYYV
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MAN or .MAN2 or .MAN3 or :3MAN;style chemicals stick;color identity;select .A:105 or .A:106 or .A:108; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (5s)-6,6-Dimethyl-5-[(6r)-8-Oxo-6,8-Dihydrofuro[3,4-E][1,3]benzodioxol-6-Yl]-5,6,7,8-Tetrahydro[1,3]dioxolo[4,5-G]isoquinolin-6-Ium | Ligand Info | |||||
| Structure Description | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with bicuculline methbromide | PDB:6X3S | ||||
| Method | Electron microscopy | Resolution | 3.12 Å | Mutation | No | [1] |
| PDB Sequence |
SNMSLVKETV
16 DRLLKGYDIR26 LRPDFGGPPV36 AVGMNIDIAS46 IDMVSEVNMD56 YTLTMYFQQA 66 WRDKRLSYNV76 IPLNLTLDNR86 VADQLWVPDT96 YFLNDKKSFV106 HGVTVKNRMI 116 RLHPDGTVLY126 GLRITTTAAC136 MMDLRRYPLD146 EQNCTLEIES156 YGYTTDDIEF 166 YWRGDDNAVT176 GVTKIELPQF186 SIVDYKLITK196 KVVFSTGSYP206 RLSLSFKLKR 216 NIGYFILQTY226 MPSILITILS236 WVSFWINYDA246 SAARVALGIT256 TVLTMTTINT 266 HLRETLPKIP276 YVKAIDMYLM286 GCFVFVFMAL296 LEYALVNYIF306 FSQPARAAAI 316 DRWSRIFFPV326 VFSFFNIVYW336 LYYV
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J94 or .J942 or .J943 or :3J94;style chemicals stick;color identity;select .A:97 or .A:99 or .A:155 or .A:156 or .A:157 or .A:200 or .A:201 or .A:202 or .A:205; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Cholesterol hemisuccinate | Ligand Info | |||||
| Structure Description | Human GABA-A receptor alpha1-beta2-gamma2 subtype in complex with GABA and flumazenil, conformation B | PDB:6D6T | ||||
| Method | Electron microscopy | Resolution | 3.86 Å | Mutation | No | [3] |
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Y01 or .Y012 or .Y013 or :3Y01;style chemicals stick;color identity;select .A:231 or .A:234 or .A:235 or .A:238 or .A:241 or .A:242 or .A:283 or .A:291 or .A:294 or .A:298 or .A:316 or .A:319 or .A:320 or .A:321 or .A:322 or .A:323 or .A:324 or .A:325 or .A:326 or .A:327 or .A:329 or .A:331 or .A:334 or .A:335 or .A:338 or .A:339 or .A:278 or .A:283; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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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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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Shared structural mechanisms of general anaesthetics and benzodiazepines. Nature. 2020 Sep;585(7824):303-308. | ||||
| REF 2 | Structural and dynamic mechanisms of GABA(A) receptor modulators with opposing activities. Nat Commun. 2022 Aug 6;13(1):4582. | ||||
| REF 3 | Structure of a human synaptic GABA(A) receptor. Nature. 2018 Jul;559(7712):67-72. | ||||
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