Structure of PDB 8jv5 Chain A Binding Site BS01

Receptor Information
>8jv5 Chain A (length=316) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IAYVIGYVCVYNKGYQDTDTVLSSVTTKVKGIALTNTSELGERIWDVADY
IIPPQEDGSFFVLTNMIITTNQTQSKCAENPTPASTCTSHRDCKRGFNDA
RGDGVRTGRCVSYSASVKTCEVLSWCPLEKIVDPPNPPLLADAENFTVLI
KNNIRYPKFNFNKRNILPNINSSYLTHCVFSRKTDPDCPIFRLGDIVGEA
EEDFQIMAVRGGVMGVQIRWDCDLDMPQSWCVPRYTFRRLDNKDPDNNVA
PGYNFRFAKYYKNSDGTETRTLIKGYGIRFDVMVFGQAGKFNIIPTLLNI
GAGLALLGLVNVICDW
Ligand information
Ligand IDP73
InChIInChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21)
InChIKeyJFNKIJKRXKPQCC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1
OpenEye OEToolkits 2.0.7CC(C)c1cc(c(c(c1)Br)NC(=O)Nc2cccnc2)Br
FormulaC15 H15 Br2 N3 O
Name1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-pyridin-3-yl-urea
ChEMBLCHEMBL1532400
DrugBank
ZINCZINC000001030851
PDB chain8jv5 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8jv5 Structural insights into the allosteric inhibition of P2X4 receptors.
Resolution3.23 Å
Binding residue
(original residue number in PDB)		R85 W87 D91 I94 I110 F299 K301
Binding residue
(residue number reindexed from 1)		R43 W45 D49 I52 I68 F257 K259
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001614 purinergic nucleotide receptor activity
GO:0002135 CTP binding
GO:0004931 extracellularly ATP-gated monoatomic cation channel activity
GO:0005216 monoatomic ion channel activity
GO:0005524 ATP binding
GO:0015267 channel activity
GO:0015276 ligand-gated monoatomic ion channel activity
GO:0017076 purine nucleotide binding
GO:0035381 ATP-gated ion channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0006812 monoatomic cation transport
GO:0006816 calcium ion transport
GO:0007165 signal transduction
GO:0033198 response to ATP
GO:0034220 monoatomic ion transmembrane transport
GO:0035590 purinergic nucleotide receptor signaling pathway
GO:0060079 excitatory postsynaptic potential
GO:0070588 calcium ion transmembrane transport
GO:0098655 monoatomic cation transmembrane transport
Cellular Component
GO:0005764 lysosome
GO:0005765 lysosomal membrane
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0034702 monoatomic ion channel complex
GO:0098794 postsynapse
GO:1902495 transmembrane transporter complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8jv5, PDBe:8jv5, PDBj:8jv5
PDBsum8jv5
PubMed37833294
UniProtF8W463|P2X4A_DANRE P2X purinoceptor 4a (Gene Name=p2rx4a)

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