Structure of PDB 7xnl Chain A Binding Site BS01
Receptor Information
>7xnl Chain A (length=348) Species:
9606
(Homo sapiens) [
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THVQGRVYNFLERPTGWKCFVYHFAVFLIVLVCLIFSVLSTIEQYAALAT
GTLFWMEIVLVVFFGTEYVVRLWSAGCRSKYVGLWGRLRFARKPISIIDL
IVVVASMVVLCVGSKATSAIRGIRFLQILRMLHVDRQGGTWRLLGSVVFI
HRQELITTLYIGFLGLIFSSYFVYLAEKDAVNESGRVEFGSYADALWWGV
VTVTTIGYGDKVPQTWVGKTIASCFSVFAISFFALPAGILGSGFALKVQQ
KQRQKHFNRQIPAAASLIQTAWRCYAAENPDSSTWKIYILREHHRATIKV
IRRMQYFVAKKKFQQARKPYDVRDVIEQYSQGHLNLMVRIKELQRRLD
Ligand information
Ligand ID
I0S
InChI
InChI=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)
InChIKey
OXQNLLVUVDAEHC-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
COc1ccc(cc1)c2csc(NC(=O)[CH]3CCCCN3[S](=O)(=O)c4ccc(C)cc4)n2
CACTVS 3.385
COc1ccc(cc1)c2csc(NC(=O)[C@H]3CCCCN3[S](=O)(=O)c4ccc(C)cc4)n2
ACDLabs 12.01
O=C(Nc1nc(cs1)c1ccc(OC)cc1)C1CCCCN1S(=O)(=O)c1ccc(C)cc1
OpenEye OEToolkits 2.0.7
Cc1ccc(cc1)S(=O)(=O)N2CCCCC2C(=O)Nc3nc(cs3)c4ccc(cc4)OC
OpenEye OEToolkits 2.0.7
Cc1ccc(cc1)S(=O)(=O)[N@]2CCCC[C@@H]2C(=O)Nc3nc(cs3)c4ccc(cc4)OC
Formula
C23 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 chain
7xnl Chain A Residue 705 [
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Receptor-Ligand Complex Structure
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PDB
7xnl
Structural mechanisms for the activation of human cardiac KCNQ1 channel by electro-mechanical coupling enhancers.
Resolution
3.1 Å
Binding residue
(original residue number in PDB)
G272 V334 F335 A336 F339
Binding residue
(residue number reindexed from 1)
G165 V227 F228 A229 F232
Annotation score
1
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
PDBsum
7xnl
PubMed
36763058
UniProt
P51787
|KCNQ1_HUMAN Potassium voltage-gated channel subfamily KQT member 1 (Gene Name=KCNQ1)
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