Structure of PDB 8qud Chain D Binding Site BS01

Receptor Information
>8qud Chain D (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 D Residue 602 [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)		Y365 A366 R368 G370 A371 P373
Binding residue
(residue number reindexed from 1)		Y297 A298 R300 G302 A303 P305
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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