Target Binding Site Detail
| 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 | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Cholesterol hemisuccinate | Ligand Info | |||
| Canonical SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C | ||||
| InChI | 1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1 | ||||
| InChIKey | WLNARFZDISHUGS-MIXBDBMTSA-N | ||||
| PubChem Compound ID | 65082 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6RV3 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 | ||||||
| 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 |
|||||
|
|
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
|
|||||
| PDB ID: 6RV2 Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation | ||||||
| Method | X-ray diffraction | Resolution | 3.00 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 EKRD |
|||||
|
|
ARG3
3.081
VAL6
3.819
ARG7
3.879
ALA10
4.179
LEU11
3.844
CYS14
4.442
ARG79
3.504
PHE80
3.144
ALA81
3.251
GLY82
4.626
PHE84
3.721
LEU115
3.786
LEU116
3.735
PRO119
3.832
|
|||||
| PDB ID: 6RV4 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 | ||||||
| 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 |
|||||
|
|
ARG3
3.394
VAL6
3.920
ARG7
3.720
ALA10
4.359
LEU11
3.849
CYS14
4.665
ARG79
3.454
PHE80
2.992
ALA81
3.104
GLY82
4.443
PHE84
3.738
LEU115
3.473
LEU116
4.118
PRO119
3.730
|
|||||
| 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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