Structure of PDB 7xnl Chain A Binding Site BS02

Receptor Information
>7xnl Chain A (length=348) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
THVQGRVYNFLERPTGWKCFVYHFAVFLIVLVCLIFSVLSTIEQYAALAT
GTLFWMEIVLVVFFGTEYVVRLWSAGCRSKYVGLWGRLRFARKPISIIDL
IVVVASMVVLCVGSKATSAIRGIRFLQILRMLHVDRQGGTWRLLGSVVFI
HRQELITTLYIGFLGLIFSSYFVYLAEKDAVNESGRVEFGSYADALWWGV
VTVTTIGYGDKVPQTWVGKTIASCFSVFAISFFALPAGILGSGFALKVQQ
KQRQKHFNRQIPAAASLIQTAWRCYAAENPDSSTWKIYILREHHRATIKV
IRRMQYFVAKKKFQQARKPYDVRDVIEQYSQGHLNLMVRIKELQRRLD
Ligand information
Ligand IDPIO
InChIInChI=1S/C25H49O19P3/c1-3-5-7-9-11-13-18(26)39-15-17(41-19(27)14-12-10-8-6-4-2)16-40-47(37,38)44-23-20(28)21(29)24(42-45(31,32)33)25(22(23)30)43-46(34,35)36/h17,20-25,28-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/t17-,20-,21+,22+,23-,24-,25-/m1/s1
InChIKeyXLNCEHRXXWQMPK-MJUMVPIBSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O)OC(=O)CCCCCCC
CACTVS 3.385CCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCCCCC
OpenEye OEToolkits 1.9.2CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC
OpenEye OEToolkits 1.9.2CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC
ACDLabs 12.01O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCC
FormulaC25 H49 O19 P3
Name[(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate;
dioctanoyl l-alpha-phosphatidyl-d-myo-inositol 4,5-diphosphate
ChEMBL
DrugBank
ZINCZINC000097972490
PDB chain7xnl Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7xnl Structural mechanisms for the activation of human cardiac KCNQ1 channel by electro-mechanical coupling enhancers.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		R181 K183
Binding residue
(residue number reindexed from 1)		R78 K80
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005249 voltage-gated potassium channel activity
GO:0005251 delayed rectifier potassium channel activity
GO:0005267 potassium channel activity
GO:0005515 protein binding
GO:0005516 calmodulin binding
GO:0005546 phosphatidylinositol-4,5-bisphosphate binding
GO:0008157 protein phosphatase 1 binding
GO:0015271 outward rectifier potassium channel activity
GO:0034236 protein kinase A catalytic subunit binding
GO:0034237 protein kinase A regulatory subunit binding
GO:0044325 transmembrane transporter binding
GO:0086008 voltage-gated potassium channel activity involved in cardiac muscle cell action potential repolarization
GO:0086089 voltage-gated potassium channel activity involved in atrial cardiac muscle cell action potential repolarization
GO:0097110 scaffold protein binding
GO:1902282 voltage-gated potassium channel activity involved in ventricular cardiac muscle cell action potential repolarization
Biological Process
GO:0001508 action potential
GO:0001696 gastric acid secretion
GO:0001698 gastrin-induced gastric acid secretion
GO:0002027 regulation of heart rate
GO:0006006 glucose metabolic process
GO:0006811 monoatomic ion transport
GO:0006813 potassium ion transport
GO:0006814 sodium ion transport
GO:0007507 heart development
GO:0007605 sensory perception of sound
GO:0007622 rhythmic behavior
GO:0008016 regulation of heart contraction
GO:0008217 regulation of blood pressure
GO:0010460 positive regulation of heart rate
GO:0015705 iodide transport
GO:0022600 digestive system process
GO:0030218 erythrocyte differentiation
GO:0030644 intracellular chloride ion homeostasis
GO:0032868 response to insulin
GO:0035176 social behavior
GO:0035934 corticosterone secretion
GO:0042472 inner ear morphogenesis
GO:0048839 inner ear development
GO:0050892 intestinal absorption
GO:0050910 detection of mechanical stimulus involved in sensory perception of sound
GO:0055064 chloride ion homeostasis
GO:0055075 potassium ion homeostasis
GO:0055085 transmembrane transport
GO:0060048 cardiac muscle contraction
GO:0060117 auditory receptor cell development
GO:0060306 regulation of membrane repolarization
GO:0060307 regulation of ventricular cardiac muscle cell membrane repolarization
GO:0060372 regulation of atrial cardiac muscle cell membrane repolarization
GO:0060452 positive regulation of cardiac muscle contraction
GO:0060453 regulation of gastric acid secretion
GO:0061337 cardiac conduction
GO:0062094 stomach development
GO:0070293 renal absorption
GO:0070294 renal sodium ion absorption
GO:0071320 cellular response to cAMP
GO:0071466 cellular response to xenobiotic stimulus
GO:0071805 potassium ion transmembrane transport
GO:0071872 cellular response to epinephrine stimulus
GO:0071875 adrenergic receptor signaling pathway
GO:0086003 cardiac muscle cell contraction
GO:0086005 ventricular cardiac muscle cell action potential
GO:0086009 membrane repolarization
GO:0086011 membrane repolarization during action potential
GO:0086013 membrane repolarization during cardiac muscle cell action potential
GO:0086014 atrial cardiac muscle cell action potential
GO:0086091 regulation of heart rate by cardiac conduction
GO:0090102 cochlea development
GO:0097623 potassium ion export across plasma membrane
GO:0098914 membrane repolarization during atrial cardiac muscle cell action potential
GO:0098915 membrane repolarization during ventricular cardiac muscle cell action potential
GO:1901381 positive regulation of potassium ion transmembrane transport
GO:1905515 non-motile cilium assembly
GO:1990573 potassium ion import across plasma membrane
Cellular Component
GO:0005737 cytoplasm
GO:0005764 lysosome
GO:0005768 endosome
GO:0005769 early endosome
GO:0005770 late endosome
GO:0005783 endoplasmic reticulum
GO:0005886 plasma membrane
GO:0008076 voltage-gated potassium channel complex
GO:0016020 membrane
GO:0016323 basolateral plasma membrane
GO:0016324 apical plasma membrane
GO:0030133 transport vesicle
GO:0030659 cytoplasmic vesicle membrane
GO:0034702 monoatomic ion channel complex
GO:0034705 potassium channel complex
GO:0043005 neuron projection
GO:0043025 neuronal cell body
GO:0045121 membrane raft
GO:0045177 apical part of cell
GO:0097546 ciliary base
GO:0098576 lumenal side of membrane
GO:1990794 basolateral part of cell

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7xnl, PDBe:7xnl, PDBj:7xnl
PDBsum7xnl
PubMed36763058
UniProtP51787|KCNQ1_HUMAN Potassium voltage-gated channel subfamily KQT member 1 (Gene Name=KCNQ1)

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