Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T86271 | Target Info | |||
| Target Name | Calcium-activated potassium channel KCa2.2 (KCNN2) | ||||
| Synonyms | Small conductance calcium-activated potassium channel protein 2; SKCa2; SKCa 2; SK2; KCa2.2 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | KCNN2 | ||||
| Biochemical Class | Voltage-gated ion channel | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Riluzole | Ligand Info | |||||
| Structure Description | A positive allosteric modulator binding pocket in SK2 ion channels is shared by Riluzole and CyPPA | PDB:5V02 | ||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [1] |
| PDB Sequence |
GRKLELTKAD
413 TQLTKRVKNA423 AANVLRETWL433 IYKNTKLVKK443 IDHAKVRKHQ453 RKFLQAIHQL 463 RSVKMEQRKL473 NDQANTLVDL483 AKTQLEH
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| Ligand Name: (3Z)-6-bromo-3-(hydroxyimino)-5-methyl-1,3-dihydro-2H-indol-2-one | Ligand Info | |||||
| Structure Description | Structural insights into the potency of SK/IK channel positive modulators | PDB:5WBX | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [2] |
| PDB Sequence |
GRKLELTKAE
404 KHVHAFMMDT414 QLTKRVKNAA424 ANVLRETWLI434 YKNTKLVKKI444 DHAKVRKHQR 454 KFLQAIHQLR464 SVKMEQRKLN474 DQANTLVDLA484 KTQLE
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| Ligand Name: 7-Fluoro-3-(hydroxyimino)indolin-2-one | Ligand Info | |||||
| Structure Description | Structural insights into the potency of SK/IK channel positive modulators | PDB:5WC5 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [2] |
| PDB Sequence |
GRKLELTKAE
404 KHVHAFMMDT414 QLTKRVKNAA424 ANVLRETWLI434 YKNTKLVKKI444 DHAKVRKHQR 454 KFLQAIHQLR464 SVKMEQRKLN474 DQANTLVDLA484 KTQLE
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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 .AJV or .AJV2 or .AJV3 or :3AJV;style chemicals stick;color identity;select .B:477 or .B:480 or .B:481 or .B:484; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (Z)-6,7-dichloro-3-(hydroxyimino)indolin-2-one | Ligand Info | |||||
| Structure Description | A V-to-F substitution in SK2 channels causes Ca2+ hypersensitivity and improves locomotion in a C. elegans ALS model | PDB:6ALE | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [3] |
| PDB Sequence |
GRKLELTKAE
404 KHFHNFMMDT414 QLTKRVKNAA424 ANVLRETWLI434 YKNTKLVKKI444 DHAKVRKHQR 454 KFLQAIHQLR464 SVKMEQRKLN474 DQANTLVDLA484 KTQLE
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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 .1KP or .1KP2 or .1KP3 or :31KP;style chemicals stick;color identity;select .B:404 or .B:409 or .B:410 or .B:474 or .B:477 or .B:478 or .B:480 or .B:481; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | An Intracellular Allosteric Modulator Binding Pocket in SK2 Ion Channels Is Shared by Multiple Chemotypes. Structure. 2018 Apr 3;26(4):533-544.e3. | ||||
| REF 2 | Structural insights into the potency of SK channel positive modulators. Sci Rep. 2017 Dec 7;7(1):17178. | ||||
| REF 3 | A V-to-F substitution in SK2 channels causes Ca(2+) hypersensitivity and improves locomotion in a C. elegans ALS model. Sci Rep. 2018 Jul 16;8(1):10749. | ||||
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