Structure of PDB 7xnn Chain C Binding Site BS01

Receptor Information
>7xnn Chain C (length=330) 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
KQRQKHFNRQIPAAASLIQTAWRCYAAENPLREHHRATIKVIRRMQYFVA
KKKFQQARKPYDVRDVIEQYSQGHLNLMVR
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 chain7xnn Chain C Residue 702 [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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PDB7xnn Structural mechanisms for the activation of human cardiac KCNQ1 channel by electro-mechanical coupling enhancers.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		G272 F275 F335 A336 F339
Binding residue
(residue number reindexed from 1)		G165 F168 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:7xnn, PDBe:7xnn, PDBj:7xnn
PDBsum7xnn
PubMed36763058
UniProtP51787|KCNQ1_HUMAN Potassium voltage-gated channel subfamily KQT member 1 (Gene Name=KCNQ1)

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