Structure of PDB 8qud Chain C Binding Site BS01

Receptor Information
>8qud Chain C (length=395) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SERIVINVGGTRHQTHRSTLRTLPGTRLAWLAEPDAHSHFDYDPRADEFF
FDRHPGVFAHILNYYRTGKLHCPADVCGPLYEEELAFWGIDETDVEPCCW
MTYRQHRDAEEALDRRWQPRIWALFEDPYSSRYARYVAFASLFFILVSIT
TFCLETHERFNPIVNKTYREAETEAFLTYIEGVCVVWFTFEFLMRVIFCP
NKVEFIKNSLNIIDFVAILPFYLEVGLSGLSSKAAKDVLGFLRVVRFVRI
LRIFKLTRHFVGLRVLGHTLRASTNEFLLLIIFLALGVLIFATMIYYAER
IGAQPNDPSASEHTHFKNIPIGFWWAVVTMTTLGYGDMYPQTWSGMLVGA
LCALAGVLTIAMPVPVIVNNFGMYYSLAMAKQKLPKKKKKHIPRP
Ligand information
Ligand IDWY0
InChIInChI=1S/C20H19N3O4/c1-2-13-18(24)23(19(25)22-13)12-6-7-16(21-10-12)27-15-5-3-4-14-17(15)20(8-9-20)11-26-14/h3-7,10,13H,2,8-9,11H2,1H3,(H,22,25)/t13-/m1/s1
InChIKeyXOWFIAMSTPQWIU-CYBMUJFWSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC[CH]1NC(=O)N(C1=O)c2ccc(Oc3cccc4OCC5(CC5)c34)nc2
OpenEye OEToolkits 2.0.7CC[C@@H]1C(=O)N(C(=O)N1)c2ccc(nc2)Oc3cccc4c3C5(CC5)CO4
CACTVS 3.385CC[C@H]1NC(=O)N(C1=O)c2ccc(Oc3cccc4OCC5(CC5)c34)nc2
OpenEye OEToolkits 2.0.7CCC1C(=O)N(C(=O)N1)c2ccc(nc2)Oc3cccc4c3C5(CC5)CO4
FormulaC20 H19 N3 O4
Name(5R)-5-ethyl-3-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione
ChEMBL
DrugBank
ZINC
PDB chain8qud 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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PDB8qud The binding and mechanism of a positive allosteric modulator of Kv3 channels.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		V312 F315
Binding residue
(residue number reindexed from 1)		V244 F247
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:0019894 kinesin binding
GO:0044325 transmembrane transporter binding
GO:0099508 voltage-gated monoatomic ion channel activity involved in regulation of presynaptic membrane potential
Biological Process
GO:0001508 action potential
GO:0006811 monoatomic ion transport
GO:0006813 potassium ion transport
GO:0009636 response to toxic substance
GO:0009642 response to light intensity
GO:0010996 response to auditory stimulus
GO:0014075 response to amine
GO:0021549 cerebellum development
GO:0021554 optic nerve development
GO:0021759 globus pallidus development
GO:0022038 corpus callosum development
GO:0034765 regulation of monoatomic ion transmembrane transport
GO:0034767 positive regulation of monoatomic ion transmembrane transport
GO:0035864 response to potassium ion
GO:0051260 protein homooligomerization
GO:0051262 protein tetramerization
GO:0055085 transmembrane transport
GO:0071466 cellular response to xenobiotic stimulus
GO:0071774 response to fibroblast growth factor
GO:0071805 potassium ion transmembrane transport
GO:0099505 regulation of presynaptic membrane potential
GO:1901379 regulation of potassium ion transmembrane transport
GO:1901381 positive regulation of potassium ion transmembrane transport
GO:1990089 response to nerve growth factor
Cellular Component
GO:0005886 plasma membrane
GO:0008076 voltage-gated potassium channel complex
GO:0009986 cell surface
GO:0016020 membrane
GO:0030424 axon
GO:0030425 dendrite
GO:0030673 axolemma
GO:0032589 neuron projection membrane
GO:0032590 dendrite membrane
GO:0032809 neuronal cell body membrane
GO:0034702 monoatomic ion channel complex
GO:0042734 presynaptic membrane
GO:0042995 cell projection
GO:0043025 neuronal cell body
GO:0043679 axon terminus
GO:0044305 calyx of Held
GO:0045202 synapse
GO:0045211 postsynaptic membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8qud, PDBe:8qud, PDBj:8qud
PDBsum8qud
PubMed38514618
UniProtP48547|KCNC1_HUMAN Voltage-gated potassium channel KCNC1 (Gene Name=KCNC1)

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