Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T15795 | Target Info | |||
| Target Name | TWIK-related acid-sensitive potassium channel 1 (TASK1) | ||||
| Synonyms | Two pore potassium channel KT3.1; Two pore K(+) channel KT3.1; TWIK-related acid-sensitive K(+) channel 1; Acid-sensitive potassium channel protein TASK-1 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | KCNK3 | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Cholesterol hemisuccinate | Ligand Info | |||||
| Structure Description | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 1000493 | PDB:6RV3 | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [1] |
| PDB Sequence |
MKRQNVRTLA
10 LIVCTFTYLL20 VGAAVFDALE30 SEPELIERQR40 LELRQQELRA50 RYNLSQGGYE 60 ELERVVLRLK70 PHKAGVQWRF80 AGSFYFAITV90 ITTIGYGHAA100 PSTDGGKVFC 110 MFYALLGIPL120 TLVMFQSLGE130 RINTLVRYLL140 HRAKKGLGAD153 VSMANMVLIG 163 FFSCISTLCI173 GAAAFSHYEH183 WTFFQAYYYC193 FITLTTIGFG203 DYVALQKDQA 213 LQTQPQYVAF223 SFVYILTGLT233 VIGAFLNLVV243 LRFMTMNAED253 EKRDAENL |
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ARG3
3.329
VAL6
3.848
ARG7
3.818
ALA10
4.128
LEU11
3.835
CYS14
4.462
ARG79
3.726
PHE80
3.238
ALA81
2.978
GLY82
4.879
PHE84
3.694
LEU214
4.579
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Decyl-beta-D-maltopyranoside | Ligand Info | |||||
| Structure Description | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 1000493 | PDB:6RV3 | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [1] |
| PDB Sequence |
MKRQNVRTLA
10 LIVCTFTYLL20 VGAAVFDALE30 SEPELIERQR40 LELRQQELRA50 RYNLSQGGYE 60 ELERVVLRLK70 PHKAGVQWRF80 AGSFYFAITV90 ITTIGYGHAA100 PSTDGGKVFC 110 MFYALLGIPL120 TLVMFQSLGE130 RINTLVRYLL140 HRAKKGLGAD153 VSMANMVLIG 163 FFSCISTLCI173 GAAAFSHYEH183 WTFFQAYYYC193 FITLTTIGFG203 DYVALQKDQA 213 LQTQPQYVAF223 SFVYILTGLT233 VIGAFLNLVV243 LRFMTMNAED253 EKRDAENL |
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: [4-[[2-(4-Bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone | Ligand Info | |||||
| Structure Description | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 1000493 | PDB:6RV3 | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [1] |
| PDB Sequence |
MKRQNVRTLA
10 LIVCTFTYLL20 VGAAVFDALE30 SEPELIERQR40 LELRQQELRA50 RYNLSQGGYE 60 ELERVVLRLK70 PHKAGVQWRF80 AGSFYFAITV90 ITTIGYGHAA100 PSTDGGKVFC 110 MFYALLGIPL120 TLVMFQSLGE130 RINTLVRYLL140 HRAKKGLGAD153 VSMANMVLIG 163 FFSCISTLCI173 GAAAFSHYEH183 WTFFQAYYYC193 FITLTTIGFG203 DYVALQKDQA 213 LQTQPQYVAF223 SFVYILTGLT233 VIGAFLNLVV243 LRFMTMNAED253 EKRDAENL |
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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 .KKQ or .KKQ2 or .KKQ3 or :3KKQ;style chemicals stick;color identity;select .A:91 or .A:92 or .A:93 or .A:118 or .A:121 or .A:122 or .A:125 or .A:197 or .A:198 or .A:199 or .A:232 or .A:235 or .A:239; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: [4-[[2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone | Ligand Info | |||||
| Structure Description | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 2341237 | PDB:6RV4 | ||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [1] |
| PDB Sequence |
MKRQNVRTLA
10 LIVCTFTYLL20 VGAAVFDALE30 SEPELIERQR40 LELRQQELRA50 RYNLSQGGYE 60 ELERVVLRLK70 PHKAGVQWRF80 AGSFYFAITV90 ITTIGYGHAA100 PSTDGGKVFC 110 MFYALLGIPL120 TLVMFQSLGE130 RINTLVRYLL140 HRAKKGLGAD153 VSMANMVLIG 163 FFSCISTLCI173 GAAAFSHYEH183 WTFFQAYYYC193 FITLTTIGFG203 DYVALQKDQA 213 LQTQPQYVAF223 SFVYILTGLT233 VIGAFLNLVV243 LRFMTMNAED253 EKRDA |
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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 .KKZ or .KKZ2 or .KKZ3 or :3KKZ;style chemicals stick;color identity;select .A:91 or .A:92 or .A:93 or .A:118 or .A:121 or .A:122 or .A:125 or .A:197 or .A:198 or .A:199 or .A:232 or .A:235 or .A:239; 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 | A lower X-gate in TASK channels traps inhibitors within the vestibule. Nature. 2020 Jun;582(7812):443-447. | ||||
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