Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T51487 | Target Info | |||
| Target Name | GABA(A) receptor alpha-1 (GABRA1) | ||||
| Synonyms | Gamma-aminobutyric acid receptor subunit alpha-1; GABA(A) receptor subunit alpha-1 | ||||
| Target Type | Successful Target | ||||
| Gene Name | GABRA1 | ||||
| Biochemical Class | Ligand-gated ion channel | ||||
| 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 |
DNTTVFTRIL
19 DRLLDGYDNR29 LRPGLGERVT39 EVKTDIFVTS49 FGPVSDHDME59 YTIDVFFRQS 69 WKDERLKFKG79 PMTVLRLNNL89 MASKIWTPDT99 FFHNGKKSVA109 HNMTMPNKLL 119 RITEDGTLLY129 TMRLTVRAEC139 PMHLEDFPMD149 AHACPLKFGS159 YAYTRAEVVY 169 EWTREPARSV179 VVAEDGSRLN189 QYDLLGQTVD199 SGIVQSSTGE209 YVVMTTHFHL 219 KRKIGYFVIQ229 TYLPCIMTVI239 LSQVSFWLNR249 ESVPARTVFG259 VTTVLTMTTL 269 SISARNSLPK279 VAYATAMDWF289 IAVCYAFVFS299 ALIEFATVNY309 FTKSQPARAA 319 KIDRLSRIAF329 PLLFGIFNLV339 YWATYLNR
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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 |
DNTTVFTRIL
19 DRLLDGYDNR29 LRPGLGERVT39 EVKTDIFVTS49 FGPVSDHDME59 YTIDVFFRQS 69 WKDERLKFKG79 PMTVLRLNNL89 MASKIWTPDT99 FFHNGKKSVA109 HNMTMPNKLL 119 RITEDGTLLY129 TMRLTVRAEC139 PMHLEDFPMD149 AHACPLKFGS159 YAYTRAEVVY 169 EWTREPARSV179 VVAEDGSRLN189 QYDLLGQTVD199 SGIVQSSTGE209 YVVMTTHFHL 219 KRKIGYFVIQ229 TYLPCIMTVI239 LSQVSFWLNR249 ESVPARTVFG259 VTTVLTMTTL 269 SISARNSLPK279 VAYATAMDWF289 IAVCYAFVFS299 ALIEFATVNY309 FTKSQPARAA 319 KIDRLSRIAF329 PLLFGIFNLV339 YWATYLNR
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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 |
DNTTVFTRIL
19 DRLLDGYDNR29 LRPGLGERVT39 EVKTDIFVTS49 FGPVSDHDME59 YTIDVFFRQS 69 WKDERLKFKG79 PMTVLRLNNL89 MASKIWTPDT99 FFHNGKKSVA109 HNMTMPNKLL 119 RITEDGTLLY129 TMRLTVRAEC139 PMHLEDFPMD149 AHACPLKFGS159 YAYTRAEVVY 169 EWTREPARSV179 VVAEDGSRLN189 QYDLLGQTVD199 SGIVQSSTGE209 YVVMTTHFHL 219 KRKIGYFVIQ229 TYLPCIMTVI239 LSQVSFWLNR249 ESVPARTVFG259 VTTVLTMTTL 269 SISARNSLPK279 VAYATAMDWF289 IAVCYAFVFS299 ALIEFATVNY309 FTKSQPARAA 319 KIDRLSRIAF329 PLLFGIFNLV339 YWATYLNR
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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 .B:228 or .B:232 or .B:233 or .B:236 or .B:237 or .B:265 or .B:269; color #00ffc7; 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 |
DNTTVFTRIL
19 DRLLDGYDNR29 LRPGLGERVT39 EVKTDIFVTS49 FGPVSDHDME59 YTIDVFFRQS 69 WKDERLKFKG79 PMTVLRLNNL89 MASKIWTPDT99 FFHNGKKSVA109 HNMTMPNKLL 119 RITEDGTLLY129 TMRLTVRAEC139 PMHLEDFPMD149 AHACPLKFGS159 YAYTRAEVVY 169 EWTREPARSV179 VVAEDGSRLN189 QYDLLGQTVD199 SGIVQSSTGE209 YVVMTTHFHL 219 KRKIGYFVIQ229 TYLPCIMTVI239 LSQVSFWLNR249 ESVPARTVFG259 VTTVLTMTTL 269 SISARNSLPK279 VAYATAMDWF289 IAVCYAFVFS299 ALIEFATVNY309 FTKSQPARAA 319 KIDRLSRIAF329 PLLFGIFNLV339 YWATYLNR
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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 .B:228 or .B:229 or .B:232 or .B:233 or .B:236; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: ALFAXALONE | Ligand Info | |||||
| Structure Description | Crystal structure of a chimeric human alpha1GABAA receptor in complex with alphaxalone | PDB:6CDU | ||||
| Method | X-ray diffraction | Resolution | 3.45 Å | Mutation | No | [3] |
| PDB Sequence |
RPVDVSVSIF
19 INKIYGVNTL29 EQTYKVDGYI39 VAQWTGKPRK49 TPGDKPLIVE59 NTQIERWINN 69 GLWVPALEFI79 NVVGSPDTGN89 KRLMLFPDGR99 VIYNARFLGS109 FSNDMDFRLF 119 PFDRQQFVLE129 LEPFSYNNQQ139 LRFSDIQVYT149 ENIDNEEIDE159 WWIRGKASTH 169 ISDIRYDHLS179 SVQPNQNEFS189 RITVRIDAVR199 KIGYFVIQTY231 LPCIMTVILS 241 QVSFWLNRES251 VPARTVFGVT261 TVLTMTTLSI271 SARNSLPKVA281 YATAMDWFIA 291 VCYAFVFSAL301 IEFATVNYFT311 KRGVESVSKI392 DRLSRIAFPL402 LFGIFNLVYW 412 ATYL
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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 .EY4 or .EY42 or .EY43 or :3EY4;style chemicals stick;color identity;select .A:239 or .A:242 or .A:243 or .A:246 or .A:302 or .A:305 or .A:306 or .A:309 or .A:397 or .A:401; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [(2r)-2-Octanoyloxy-3-[oxidanyl-[(1r,2r,3s,4r,5r,6s)-2,3,6-Tris(Oxidanyl)-4,5-Diphosphonooxy-Cyclohexyl]oxy-Phosphoryl]oxy-Propyl] Octanoate | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the human synaptic alpha1-beta3-gamma2 GABAA receptor in complex with Megabody38 in a lipid nanodisc | PDB:6I53 | ||||
| Method | Electron microscopy | Resolution | 3.20 Å | Mutation | No | [4] |
| PDB Sequence |
DNTTVFTRIL
19 DRLLDGYDNR29 LRPGLGERVT39 EVKTDIFVTS49 FGPVSDHDME59 YTIDVFFRQS 69 WKDERLKFKG79 PMTVLRLNNL89 MASKIWTPDT99 FFHNGKKSVA109 HNMTMPNKLL 119 RITEDGTLLY129 TMRLTVRAEC139 PMHLEDFPMD149 AHACPLKFGS159 YAYTRAEVVY 169 EWTREPARSV179 VVAEDGSRLN189 QYDLLGQTVD199 SGIVQSSTGE209 YVVMTTHFHL 219 KRKIGYFVIQ229 TYLPCIMTVI239 LSQVSFWLNR249 ESVPARTVFG259 VTTVLTMTTL 269 SISARNSLPK279 VAYATAMDWF289 IAVCYAFVFS299 ALIEFATVNY309 FTKRGYAWDG 319 KSVVKTFNSV389 SKIDRLSRIA399 FPLLFGIFNL409 VYWATYLNR
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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 .PIO or .PIO2 or .PIO3 or :3PIO;style chemicals stick;color identity;select .A:249 or .A:299 or .A:303 or .A:306 or .A:310 or .A:312 or .A:313 or .A:386 or .A:387 or .A:388 or .A:389 or .A:390 or .A:391 or .A:392 or .A:395 or .A:396 or .A:400; 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 |
DNTTVFTRIL
19 DRLLDGYDNR29 LRPGLGERVT39 EVKTDIFVTS49 FGPVSDHDME59 YTIDVFFRQS 69 WKDERLKFKG79 PMTVLRLNNL89 MASKIWTPDT99 FFHNGKKSVA109 HNMTMPNKLL 119 RITEDGTLLY129 TMRLTVRAEC139 PMHLEDFPMD149 AHACPLKFGS159 YAYTRAEVVY 169 EWTREPARSV179 VVAEDGSRLN189 QYDLLGQTVD199 SGIVQSSTGE209 YVVMTTHFHL 219 KRKIGYFVIQ229 TYLPCIMTVI239 LSQVSFWLNR249 ESVPARTVFG259 VTTVLTMTTL 269 SISARNSLPK279 VAYATAMDWF289 IAVCYAFVFS299 ALIEFATVNY309 FTKSQPARAA 319 KIDRLSRIAF329 PLLFGIFNLV339 YWATYLNR
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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 .B:44 or .B:46 or .B:65 or .B:67 or .B:118 or .B:130; 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 | [5] |
| PDB Sequence |
TVFTRILDRL
22 LDGYDNRLRP32 GLGERVTEVK42 TDIFVTSFGP52 VSDHDMEYTI62 DVFFRQSWKD 72 ERLKFKGPMT82 VLRLNNLMAS92 KIWTPDTFFH102 NGKKSVAHNM112 TMPNKLLRIT 122 EDGTLLYTMR132 LTVRAECPMH142 LEDFPMDAHA152 CPLKFGSYAY162 TRAEVVYEWT 172 REPARSVVVA182 EDGSRLNQYD192 LLGQTVDSGI202 VQSSTGEYVV212 MTTHFHLKRK 222 IGYFVIQTYL232 PCIMTVILSQ242 VSFWLNRESV252 PARTVFGVTT262 VLTMTTLSIS 272 ARNSLPKVAY282 ATAMDWFIAV292 CYAFVFSALI302 EFATVNYFTK312 SQPARAAKID 322 RLSRIAFPLL332 FGIFNLVYWA342 TYL
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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 .B:223 or .B:224 or .B:227 or .B:228 or .B:232 or .B:235 or .B:256 or .B:296 or .B:299 or .B:304 or .B:308 or .B:312 or .B:324 or .B:328 or .B:329 or .B:332 or .B:341 or .B:345; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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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 | Structural basis of neurosteroid anesthetic action on GABA(A) receptors. Nat Commun. 2018 Sep 28;9(1):3972. | ||||
| REF 4 | Cryo-EM structure of the human Alpha1Beta3Gamma2 GABA(A) receptor in a lipid bilayer. Nature. 2019 Jan;565(7740):516-520. | ||||
| REF 5 | Structure of a human synaptic GABA(A) receptor. Nature. 2018 Jul;559(7712):67-72. | ||||
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