Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T57613 Target Info
Target Name TWIK-related acid-sensitive potassium channel 3 (TASK3)
Synonyms Two pore potassium channel KT3.2; TWIK-related acid-sensitive K+ channel 3; KCNK9; Acid-sensitive potassium channel protein TASK-3
Target Type Literature-reported Target
Gene Name KCNK9
UniProt ID
KCNK9_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: L-serine-O-phosphate Ligand Info
Structure Description Crystal structure of human 14-3-3 sigma C38N/N166H in complex with TASK-3 peptide and stabilizer fusicoccin A PDB:3P1S
Method X-ray diffraction Resolution 1.65 Å Mutation Yes [1]
PDB Sequence
KRRKV
Residue
Distance (Å)
ARG370
4.675
ARG371
2.739
Residue
Distance (Å)
LYS372
1.330
VAL374
1.332
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Ligand Name: N-[(2S)-2-[(1E,3R,4S,8R,9R,10R,11S,14S)-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(2-methylbut-3-en-2-yloxymethyl)oxan-2-yl]oxy-6-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]propyl]acetamide Ligand Info
Structure Description 14-3-3sigma in complex with a TASK3 peptide stabilized by semi-synthetic natural product FC-NAc PDB:6GHP
Method X-ray diffraction Resolution 1.95 Å Mutation No [2]
PDB Sequence
RRKV
Residue
Distance (Å)
VAL374
2.453
Residue
Distance (Å)
Ligand Name: Fusicoccin Ligand Info
Structure Description Crystal structure of human 14-3-3 sigma C38N/N166H in complex with TASK-3 peptide and stabilizer fusicoccin A PDB:3P1S
Method X-ray diffraction Resolution 1.65 Å Mutation Yes [1]
PDB Sequence
KRRKV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FSC or .FSC2 or .FSC3 or :3FSC;style chemicals stick;color identity;select .P:374; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL374
3.875
Residue
Distance (Å)
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Ligand Name: (4r,5r,6r,6as,9s,9ae,10ar)-5-Hydroxy-9-(Hydroxymethyl)-6,10a-Dimethyl-3-(Propan-2-Yl)-1,2,4,5,6,6a,7,8,9,10a-Decahydrodicyclopenta[a,D][8]annulen-4-Yl Alpha-D-Gulopyranoside Ligand Info
Structure Description Crystal structure of human 14-3-3 sigma in complex with TASK-3 peptide and stabilizer Fusicoccin H PDB:3UX0
Method X-ray diffraction Resolution 1.75 Å Mutation No [1]
PDB Sequence
KRRKV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0DV or .0DV2 or .0DV3 or :30DV;style chemicals stick;color identity;select .P:374; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL374
3.754
Residue
Distance (Å)
Ligand Name: Cotylenol Ligand Info
Structure Description Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Cotylenol PDB:3SP5
Method X-ray diffraction Resolution 1.80 Å Mutation Yes [1]
PDB Sequence
KRRKV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CX7 or .CX72 or .CX73 or :3CX7;style chemicals stick;color identity;select .P:374; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL374
2.862
Residue
Distance (Å)
Ligand Name: Fusicoccin J Aglycone Ligand Info
Structure Description Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Fusicoccin J aglycone PDB:3SMO
Method X-ray diffraction Resolution 1.80 Å Mutation Yes [1]
PDB Sequence
KRRKV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FJA or .FJA2 or .FJA3 or :3FJA;style chemicals stick;color identity;select .P:374; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL374
3.870
Residue
Distance (Å)
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Ligand Name: (4r,5r,6r,6as,9s,9ae,10ar)-5-Hydroxy-9-(Methoxymethyl)-6,10a-Dimethyl-3-(Propan-2-Yl)-1,2,4,5,6,6a,7,8,9,10a-Decahydrodicyclopenta[a,D][8]annulen-4-Yl Alpha-D-Glucopyranoside Ligand Info
Structure Description Crystal structure of human 14-3-3 sigma in complex with TASK-3 peptide and stabilizer 16-O-Me-FC-H PDB:4FR3
Method X-ray diffraction Resolution 1.90 Å Mutation No [1]
PDB Sequence
KRRKV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0V4 or .0V42 or .0V43 or :30V4;style chemicals stick;color identity;select .P:2; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL2
3.931
Residue
Distance (Å)
Ligand Name: (1S)-3-Isopropyl-4beta-(4-O,6-O-isopropylidene-alpha-D-glucopyranosyloxy)-6alpha,10aalpha-dimethyl-9alpha-(methoxymethyl)-1beta,2beta-(epoxyethano)-1,2,4,5,6,6abeta,7,8,9,10a-decahydrodicyclopenta[a,d]cyclooctene-5alpha-ol Ligand Info
Structure Description Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer FC-THF PDB:3SPR
Method X-ray diffraction Resolution 1.99 Å Mutation Yes [1]
PDB Sequence
KRRKV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FC7 or .FC72 or .FC73 or :3FC7;style chemicals stick;color identity;select .P:374; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL374
3.185
Residue
Distance (Å)
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Ligand Name: Dicyclopenta(a,d)cyclooctene-1,5-diol, 1,2,3,3a,4,5,6,8,9,9a-decahydro-1-(methoxymethyl)-4-methyl-7-(1-methylethyl)-6-(((2S,3S,4aS,5R,7S,8R,8aR)-tetrahydro-8-hydroxy-5-(methoxymethyl)-3-methyl-3-((2S)-oxiranyl)-7H-2,4a-epoxy-5H-pyrano(3,4-b)-1,4-dioxin-7-yl)oxy)-, (1R,3aS,4R,5R,6R,9aR)- Ligand Info
Structure Description Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Cotylenin A PDB:3SMK
Method X-ray diffraction Resolution 2.10 Å Mutation Yes [1]
PDB Sequence
KRRKV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CW7 or .CW72 or .CW73 or :3CW7;style chemicals stick;color identity;select .P:374; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL374
2.850
Residue
Distance (Å)
Ligand Name: Fusicoccin A Aglycone Ligand Info
Structure Description Crystal structure of human 14-3-3 sigma C38N/N166H in complex with TASK-3 peptide and stabilizer Fusicoccin A aglycone PDB:3SML
Method X-ray diffraction Resolution 1.90 Å Mutation Yes [1]
PDB Sequence
RRKV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FW1 or .FW12 or .FW13 or :3FW1;style chemicals stick;color identity;select .P:374; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL374
3.919
Residue
Distance (Å)
References  Top
REF 1 A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface. Chem Biol. 2013 Apr 18;20(4):583-93.
REF 2 Rationally Designed Semisynthetic Natural Product Analogues for Stabilization of 14-3-3 Protein-Protein Interactions. Angew Chem Int Ed Engl. 2018 Oct 8;57(41):13470-13474.

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