Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Dysiherbaine | Ligand Info | |||||
| Structure Description | Crystal Structure of the human glutamate receptor, GluR5, ligand-binding core in complex with dysiherbaine in space group P1 | PDB:3FV1 | ||||
| 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
3.455
TYR429
4.291
TYR474
3.273
PRO501
2.828
LEU502
3.428
THR503
2.834
ARG508
2.750
VAL670
3.363
GLY673
3.323
SER674
2.777
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Dasolampanel | Ligand Info | |||||
| Structure Description | Crystal Structure of Human GRIK1 complexed with a 6-(tetrazolyl)aryl decahydroisoquinoline antagonist | PDB:4MF3 | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [2] |
| PDB Sequence |
SLANRTLIVT
10 TILEEPYVMY20 RKSDKPLYGN30 DRFEGYCLDL40 LKELSNILGF50 IYDVKLVPDG 60 KYGAQNDKGE70 WNGMVKELID80 HRADLAVAPL90 TITYVREKVI100 DFSKPFMTLG 110 ISILYRKGTP120 IDSADDLAKQ130 TKIEYGAVRD140 GSTMTFFKKS150 KISTYEKMWA 160 FMSSRQQTAL170 VRNSDEGIQR180 VLTTDYALLM190 ESTSIEYVTQ200 RNCNLTQIGG 210 LIDSKGYGVG220 TPIGSPYRDK230 ITIAILQLQE240 EGKLHMMKEK250 WWRGNGCP |
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| 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 | |||||
| Structure Description | Crystal structure of the human glutamate receptor, GluR5, ligand-binding core in complex with neodysiherbaine A in space group P1 | PDB:3FV2 | ||||
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NDZ or .NDZ2 or .NDZ3 or :3NDZ;style chemicals stick;color identity;select .A:426 or .A:429 or .A:474 or .A:475 or .A:501 or .A:502 or .A:503 or .A:508 or .A:670 or .A:672 or .A:673 or .A:674 or .A:675 or .A:676 or .A:706 or .A:721 or .A:722 or .A:723 or .A:726 or .A:749; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2r,3ar,6r,7s,7ar)-2-[(2s)-2-Amino-3-Hydroxy-3-Oxo-Propyl]-6,7-Dihydroxy-3,3a,5,6,7,7a-Hexahydrofuro[4,5-B]pyran-2-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the human glutamate receptor, GluR5, ligand-binding core in complex with 8-epi-neodysiherbaine A in space group P1 | PDB:3FVO | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [3] |
| 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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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8EP or .8EP2 or .8EP3 or :38EP;style chemicals stick;color identity;select .A:426 or .A:474 or .A:501 or .A:502 or .A:503 or .A:508 or .A:670 or .A:672 or .A:673 or .A:674 or .A:675 or .A:676 or .A:706 or .A:721 or .A:722 or .A:723 or .A:726 or .A:749; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2r,3ar,6s,7ar)-2-[(2s)-2-Amino-3-Hydroxy-3-Oxo-Propyl]-6-Hydroxy-3,3a,5,6,7,7a-Hexahydrofuro[4,5-B]pyran-2-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the human glutamate receptor, GluR5, ligand-binding core in complex with 8-deoxy-neodysiherbaine A in space group P1 | PDB:3FVK | ||||
| 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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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8DX or .8DX2 or .8DX3 or :38DX;style chemicals stick;color identity;select .A:426 or .A:474 or .A:501 or .A:502 or .A:503 or .A:508 or .A:670 or .A:672 or .A:673 or .A:674 or .A:675 or .A:676 or .A:706 or .A:721 or .A:722 or .A:723 or .A:726 or .A:749; 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,3ar,7ar)-2-[(2s)-2-Amino-3-Hydroxy-3-Oxo-Propyl]-3,3a,5,6,7,7a-Hexahydrofuro[4,5-B]pyran-2-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the human glutamate receptor, GluR5, ligand-binding core in complex with MSVIII-19 in space group P1 | PDB:3FVG | ||||
| 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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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MS8 or .MS82 or .MS83 or :3MS8;style chemicals stick;color identity;select .A:426 or .A:474 or .A:475 or .A:501 or .A:502 or .A:503 or .A:508 or .A:670 or .A:672 or .A:673 or .A:674 or .A:675 or .A:676 or .A:706 or .A:722 or .A:723 or .A:726 or .A:749; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: (2r,3ar,7r,7ar)-2-[(2s)-2-Amino-3-Hydroxy-3-Oxo-Propyl]-7-Hydroxy-3,3a,5,6,7,7a-Hexahydrofuro[4,5-B]pyran-2-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the human glutamate receptor, GluR5, ligand-binding core in complex with 9-deoxy-neodysiherbaine A in space group P1 | PDB:3FVN | ||||
| 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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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9DX or .9DX2 or .9DX3 or :39DX;style chemicals stick;color identity;select .A:426 or .A:474 or .A:501 or .A:502 or .A:503 or .A:508 or .A:670 or .A:672 or .A:673 or .A:674 or .A:675 or .A:676 or .A:706 or .A:720 or .A:721 or .A:722 or .A:723 or .A:726 or .A:749; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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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. | ||||
| REF 2 | GluK1 antagonists from 6-(tetrazolyl)phenyl decahydroisoquinoline derivatives: in vitro profile and in vivo analgesic efficacy. Bioorg Med Chem Lett. 2013 Dec 1;23(23):6463-6. | ||||
| REF 3 | Crystal Structures of Human GluR5 Ligand-Binding Core in Complexes with Novel Marine-Derived Toxins, Dysiherbaine and Neodysiherbaine A, and Their Analogues | ||||
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