Structure of PDB 7xnl Chain G Binding Site BS02

Receptor Information
>7xnl Chain G (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 IDI0S
InChIInChI=1S/C23H25N3O4S2/c1-16-6-12-19(13-7-16)32(28,29)26-14-4-3-5-21(26)22(27)25-23-24-20(15-31-23)17-8-10-18(30-2)11-9-17/h6-13,15,21H,3-5,14H2,1-2H3,(H,24,25,27)
InChIKeyOXQNLLVUVDAEHC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1ccc(cc1)c2csc(NC(=O)[CH]3CCCCN3[S](=O)(=O)c4ccc(C)cc4)n2
CACTVS 3.385COc1ccc(cc1)c2csc(NC(=O)[C@H]3CCCCN3[S](=O)(=O)c4ccc(C)cc4)n2
ACDLabs 12.01O=C(Nc1nc(cs1)c1ccc(OC)cc1)C1CCCCN1S(=O)(=O)c1ccc(C)cc1
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)S(=O)(=O)N2CCCCC2C(=O)Nc3nc(cs3)c4ccc(cc4)OC
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)S(=O)(=O)[N@]2CCCC[C@@H]2C(=O)Nc3nc(cs3)c4ccc(cc4)OC
FormulaC23 H25 N3 O4 S2
Name(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine-2-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain7xnl Chain G Residue 701 [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)		G272 F335 A336 F339
Binding residue
(residue number reindexed from 1)		G165 F228 A229 F232
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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