Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
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
GBRA1_HUMAN
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
TVFTRILDRL
22
LDGYDNRLRP
32
GLGERVTEVK
42
TDIFVTSFGP
52
VSDHDMEYTI
62

DVFFRQSWKD
72
ERLKFKGPMT
82
VLRLNNLMAS
92
KIWTPDTFFH
102
NGKKSVAHNM
112

TMPNKLLRIT
122
EDGTLLYTMR
132
LTVRAECPMH
142
LEDFPMDAHA
152
CPLKFGSYAY
162

TRAEVVYEWT
172
REPARSVVVA
182
EDGSRLNQYD
192
LLGQTVDSGI
202
VQSSTGEYVV
212

MTTHFHLKRK
222
IGYFVIQTYL
232
PCIMTVILSQ
242
VSFWLNRESV
252
PARTVFGVTT
262

VLTMTTLSIS
272
ARNSLPKVAY
282
ATAMDWFIAV
292
CYAFVFSALI
302
EFATVNYFTK
312

SQPARAAKID
322
RLSRIAFPLL
332
FGIFNLVYWA
342
TYL
Residue
Distance (Å)
ILE223
4.200
GLY224
4.025
VAL227
3.922
ILE228
3.452
LEU232
3.501
ILE235
3.550
THR256
4.567
PHE296
4.497
SER299
4.734
Residue
Distance (Å)
PHE304
4.897
ASN308
3.457
LYS312
2.835
LEU324
3.449
ALA328
3.917
PHE329
4.408
LEU332
3.668
TRP341
3.807
LEU345
4.827
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
DNTTVFTRIL
19
DRLLDGYDNR
29
LRPGLGERVT
39
EVKTDIFVTS
49
FGPVSDHDME
59

YTIDVFFRQS
69
WKDERLKFKG
79
PMTVLRLNNL
89
MASKIWTPDT
99
FFHNGKKSVA
109

HNMTMPNKLL
119
RITEDGTLLY
129
TMRLTVRAEC
139
PMHLEDFPMD
149
AHACPLKFGS
159

YAYTRAEVVY
169
EWTREPARSV
179
VVAEDGSRLN
189
QYDLLGQTVD
199
SGIVQSSTGE
209

YVVMTTHFHL
219
KRKIGYFVIQ
229
TYLPCIMTVI
239
LSQVSFWLNR
249
ESVPARTVFG
259

VTTVLTMTTL
269
SISARNSLPK
279
VAYATAMDWF
289
IAVCYAFVFS
299
ALIEFATVNY
309

FTKSQPARAA
319
KIDRLSRIAF
329
PLLFGIFNLV
339
YWATYL
Residue
Distance (Å)
THR256
4.024
VAL260
4.904
ARG274
4.789
TYR294
2.251
PHE298
3.879
Residue
Distance (Å)
LEU301
3.549
PHE304
4.575
ALA305
4.580
ASN308
3.863
References  Top
REF 1 Structure of a human synaptic GABA(A) receptor. Nature. 2018 Jul;559(7712):67-72.

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