Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T73495 | Target Info | |||
| Target Name | Glutamate receptor ionotropic kainate 1 (GRIK1) | ||||
| Synonyms | Glutamate receptor 5; GluR5 kainate receptor; GluR5; GluR-5; GRIK1; Excitatory amino acid receptor 3; EAA3 | ||||
| Target Type | Successful Target | ||||
| Gene Name | GRIK1 | ||||
| Biochemical Class | Glutamate-gated ion channel | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | (2r,3ar,6r,7r,7ar)-2-[(2s)-2-Amino-2-Carboxyethyl]-6,7-Dihydroxyhexahydro-2h-Furo[3,2-B]pyran-2-Carboxylic Acid | Ligand Info | |||
| Canonical SMILES | C1C2C(C(C(CO2)O)O)OC1(CC(C(=O)O)N)C(=O)O | ||||
| InChI | 1S/C11H17NO8/c12-4(9(15)16)1-11(10(17)18)2-6-8(20-11)7(14)5(13)3-19-6/h4-8,13-14H,1-3,12H2,(H,15,16)(H,17,18)/t4-,5+,6+,7+,8-,11+/m0/s1 | ||||
| InChIKey | NRTJEXLNSCGBJU-FQYLSUDWSA-N | ||||
| PubChem Compound ID | 11460505 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3FV2 Crystal structure of the human glutamate receptor, GluR5, ligand-binding core in complex with neodysiherbaine A in space group P1 | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [1] |
| PDB Sequence |
ANRTLIVTTI
424 LEEPYVMYRK434 SDKPLYGNDR444 FEGYCLDLLK454 ELSNILGFIY464 DVKLVPDGKY 474 GAQNDKGEWN484 GMVKELIDHR494 ADLAVAPLTI504 TYVREKVIDF514 SKPFMTLGIS 524 ILYRKGTPID654 SADDLAKQTK664 IEYGAVRDGS674 TMTFFKKSKI684 STYEKMWAFM 694 SSRQQTALVR704 NSDEGIQRVL714 TTDYALLMES724 TSIEYVTQRN734 CNLTQIGGLI 744 DSKGYGVGTP754 IGSPYRDKIT764 IAILQLQEEG774 KLHMMKEKWW784 RGNGCP |
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GLU426
3.447
TYR429
4.965
TYR474
3.221
GLY475
4.976
PRO501
2.827
LEU502
3.517
THR503
2.818
ARG508
2.786
VAL670
3.522
ASP672
4.955
|
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| PDB ID: 2ZNU Crystal structure of the ligand-binding core of the human ionotropic glutamate receptor, GluR5, in complex with a novel selective agonist, neodysiherbaine A | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
ANRTLIVTTI
424 LEEPYVMYRK434 SDKPLYGNDR444 FEGYCLDLLK454 ELSNILGFIY464 DVKLVPDGKY 474 GAQNDKGEWN484 GMVKELIDHR494 ADLAVAPLTI504 TYVREKVIDF514 SKPFMTLGIS 524 ILYRKGTPID654 SADDLAKQTK664 IEYGAVRDGS674 TMTFFKKSKI684 STYEKMWAFM 694 SSRQQTALVR704 NSDEGIQRVL714 TTDYALLMES724 TSIEYVTQRN734 CNLTQIGGLI 744 DSKGYGVGTP754 IGSPYRDKIT764 IAILQLQEEG774 KLHMMKEKWW784 RGNGC |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Binding and selectivity of the marine toxin neodysiherbaine A and its synthetic analogues to GluK1 and GluK2 kainate receptors. J Mol Biol. 2011 Oct 28;413(3):667-83. | ||||
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