Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T26900 | Target Info | |||
| Target Name | Glutamic acid decarboxylase 1 (GAD1) | ||||
| Synonyms | Glutamate decarboxylase 67 kDa isoform; Glutamate decarboxylase 1; GAD67; GAD-67; GAD; 67 kDa glutamic acid decarboxylase | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | GAD1 | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | N6-((3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methylene)-L-lysine | Ligand Info | |||
| Canonical SMILES | CC1=NC=C(C(=C1O)C=NCCCCC(C(=O)O)N)COP(=O)(O)O | ||||
| InChI | 1S/C14H22N3O7P/c1-9-13(18)11(10(6-17-9)8-24-25(21,22)23)7-16-5-3-2-4-12(15)14(19)20/h6-7,12,18H,2-5,8,15H2,1H3,(H,19,20)(H2,21,22,23)/t12-/m0/s1 | ||||
| InChIKey | YQSOQJORMNSDJL-LBPRGKRZSA-N | ||||
| PubChem Compound ID | 135412779 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3VP6 Structural characterization of Glutamic Acid Decarboxylase; insights into the mechanism of autoinactivation | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [1] |
| PDB Sequence |
TDFSNLFARD
102 LLPAKNGEEQ112 TVQFLLEVVD122 ILLNYVRKTF132 DRSTKVLDFH142 HPHQLLEGME 152 GFNLELSDHP162 ESLEQILVDC172 RDTLKYGVRT182 GHPRFFNQLS192 TGLDIIGLAG 202 EWLTSTANTN212 MFTYEIAPVF222 VLMEQITLKK232 MREIVGWSSK242 DGDGIFSPGG 252 AISNMYSIMA262 ARYKYFPEVK272 TKGMAAVPKL282 VLFTSEQSHY292 SIKKAGAALG 302 FGTDNVILIK312 CNERGKIIPA322 DFEAKILEAK332 QKGYVPFYVN342 ATAGTTVYGA 352 FDPIQEIADI362 CEKYNLWLHV372 DAAWGGGLLM382 SRKHRHKLNG392 IERANSVTWN 402 PHMMGVLLQC413 SAILVKEKGI423 LQGCNQMHAS433 YLFQQDKHYD443 VSYDTGDKAI 453 QCGRHVDIFK463 FWLMWKAKGT473 VGFENQINKC483 LELAEYLYAK493 IKNREEFEMV 503 FNGEPEHTNV513 CFWYIPQSLR523 GVPDSPQRRE533 KLHKVAPKIK543 ALMMESGTTM 553 VGYQPQGDKA563 NFFRMVISNP573 AATQSDIDFL583 IEEIERLGQ
|
|||||
|
|
LEU191
3.343
SER192
3.347
GLY251
3.162
GLY252
2.648
ALA253
2.875
ASN256
3.782
HIS291
3.292
SER293
4.138
THR344
4.127
GLY346
3.600
THR347
4.812
THR348
3.118
|
|||||
| PDB ID: 2OKJ The X-ray crystal structure of the 67kDa isoform of Glutamic Acid Decarboxylase (GAD67) | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [2] |
| PDB Sequence |
TDFSNLFARD
102 LLPAKNGEEQ112 TVQFLLEVVD122 ILLNYVRKTF132 DRSTKVLDFH142 HPHQLLEGME 152 GFNLELSDHP162 ESLEQILVDC172 RDTLKYGVRT182 GHPRFFNQLS192 TGLDIIGLAG 202 EWLTSTANTN212 MFTYEIAPVF222 VLMEQITLKK232 MREIVGWSSK242 DGDGIFSPGG 252 AISNMYSIMA262 ARYKYFPEVK272 TKGMAAVPKL282 VLFTSEQSHY292 SIKKAGAALG 302 FGTDNVILIK312 CNERGKIIPA322 DFEAKILEAK332 QKGYVPFYVN342 ATAGTTVYGA 352 FDPIQEIADI362 CEKYNLWLHV372 DAAWGGGLLM382 SRKHRHKLNG392 IERANSVTWN 402 PHMMGVLLQC413 SAILVKEKGI423 LQGCNQMCAG433 YLFQPDKQYD443 VSYDTGDKAI 453 QCGRHVDIFK463 FWLMWKAKGT473 VGFENQINKC483 LELAEYLYAK493 IKNREEFEMV 503 FNGEPEHTNV513 CFWYIPQSLR523 GVPDSPQRRE533 KLHKVAPKIK543 ALMMESGTTM 553 VGYQPQGDKA563 NFFRMVISNP573 AATQSDIDFL583 IEEIERLGQD593 |
|||||
|
|
LEU191
3.384
SER192
3.604
GLY251
3.305
GLY252
2.717
ALA253
2.902
ASN256
4.046
HIS291
3.372
SER293
4.361
THR344
3.817
GLY346
3.277
THR347
4.534
THR348
3.146
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural characterization of the mechanism through which human glutamic acid decarboxylase auto-activates. Biosci Rep. 2013 Jan 11;33(1):137-44. | ||||
| REF 2 | GABA production by glutamic acid decarboxylase is regulated by a dynamic catalytic loop. Nat Struct Mol Biol. 2007 Apr;14(4):280-6. | ||||
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