Structure of PDB 6wkn Chain D Binding Site BS02

Receptor Information
>6wkn Chain D (length=606) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FDRDRLFSVVSRGVPEELTGLLEYLRWNSKYLTDSAYTEGSTGKTCLMKA
VLNLQDGVNACIMPLLQIDKDSGNPKLLVNAQCTDEFYQGHSALHIAIEK
RSLQCVKLLVENGADVHLRACGRFFQKHQGTCFYFGELPLSLAACTKQWD
VVTYLLENPHQPASLEATDSLGNTVLHALVMIADNSPENSALVIHMYDGL
LQMGARLCPTVQLEEISNHQGLTPLKLAAKEGKIEIFRHILQREFSGPYQ
PLSRKFTEWCYGPVRVSLYDLSSVDSWEKNSVLEIIAFHCKSPNRHRMVV
LEPLNKLLQEKWDRLVSRFFFNFACYLVYMFIFTVVAYHQPFGESMLLLG
HILILLGGIYLLLGQLWYFWRRRFMDSYFEILFLLQALLTVLSQVLRFME
TEWYLPLLVLSLVLGWLNLLYYTRGFQHTGIYSVMIQKVILRDLLRFLLV
YLVFLFGFAVALVSLSREARYRSILDASLELFKFTIGMGELAFQEQLRFR
GVVLLLLLAYVLLTYVLLLNMLIALMSETVNHVADNSWSIWKLQKAISVL
EMENGYWWCRRKKHREGRLLKVGTRPDERWCFRVEEVNWAAWEKTLPTLS
EDPSGP
Ligand information
Ligand IDLQ4
InChIInChI=1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+
InChIKeyVABYUUZNAVQNPG-BQYQJAHWSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C2C=CC(N(C([C@H]=[C@H]c1cc(OC)c(c(c1)OC)OC)=O)C2)=O
OpenEye OEToolkits 2.0.7COc1cc(cc(c1OC)OC)/C=C/C(=O)N2CCC=CC2=O
CACTVS 3.385COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC
OpenEye OEToolkits 2.0.7COc1cc(cc(c1OC)OC)C=CC(=O)N2CCC=CC2=O
CACTVS 3.385COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC
FormulaC17 H19 N O5
Namepiperlongumine;
1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-5,6-dihydropyridin-2(1H)-one
ChEMBLCHEMBL465843
DrugBank
ZINCZINC000000899053
PDB chain6wkn Chain D Residue 801 [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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PDB6wkn Allosteric Antagonist Modulation of TRPV2 by Piperlongumine Impairs Glioblastoma Progression.
Resolution3.46 Å
Binding residue
(original residue number in PDB)		L513 T516 T522 Y525
Binding residue
(residue number reindexed from 1)		L420 T423 T429 Y432
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005261 monoatomic cation channel activity
GO:0005262 calcium channel activity
GO:0005515 protein binding
GO:0042802 identical protein binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0006915 apoptotic process
GO:0008285 negative regulation of cell population proliferation
GO:0009266 response to temperature stimulus
GO:0045773 positive regulation of axon extension
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
GO:0090280 positive regulation of calcium ion import
GO:0120162 positive regulation of cold-induced thermogenesis
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0009986 cell surface
GO:0012505 endomembrane system
GO:0016020 membrane
GO:0030027 lamellipodium
GO:0030424 axon
GO:0032584 growth cone membrane
GO:0042470 melanosome
GO:0044295 axonal growth cone
GO:0044297 cell body

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6wkn, PDBe:6wkn, PDBj:6wkn
PDBsum6wkn
PubMed34079902
UniProtQ9WUD2|TRPV2_RAT Transient receptor potential cation channel subfamily V member 2 (Gene Name=Trpv2)

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