Structure of PDB 8k1q Chain A Binding Site BS03

Receptor Information

>8k1q Chain A (length=242) Species: 9606 (Homo sapiens)

KRQNVRTLSLIVCTFTYLLVGAAVFDALESDHEMREEEKLKAEEIRIKGK
YNISSEDYRQLELVILQSEPHRAGVQWKFAGSFYFAITVITTIGYGHAAP
GTDAGKAFCMFYAVLGIPLTLVMFQSLGERMNTFVRYLLKRIKKCCDVSM
ENMVTVGFFSCMGTLCIGAAAFSQCEEWSFFHAYYYCFITLTTIGFGDYV
ALQTKGALQKKPLYVAFSFMYILVGLTVIGAFLNLVVLRFLT

Ligand information

• Ligand ID: Y01
• InChI: 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
• SMILES:
  CACTVS 3.352: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
  OpenEye OEToolkits 1.6.1: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
  OpenEye OEToolkits 1.6.1: CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
  CACTVS 3.352: CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
• Formula: C31 H50 O4
• Name: CHOLESTEROL HEMISUCCINATE
• ZINC: ZINC000058638837
• PDB chain: 8k1q Chain A Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8k1q Human TWIK-related acid-sensitive potassium channel TASK3 at pH 6.0, 5 mM KCl and 135 mM NaCl
• Resolution: 3.68 Å
• Binding residue (original residue number in PDB): F80 L214 Q215 P218 F225
• Binding residue (residue number reindexed from 1): F79 L208 Q209 P212 F219
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0005267 potassium channel activity

Biological Process

• GO:0071805 potassium ion transmembrane transport

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:8k1q, PDBe:8k1q, PDBj:8k1q
• PDBsum: 8k1q
• PubMed: 38630723
• UniProt: Q9NPC2|KCNK9_HUMAN Potassium channel subfamily K member 9 (Gene Name=KCNK9)