Structure of PDB 7xj0 Chain A Binding Site BS02

Receptor Information
>7xj0 Chain A (length=606) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLKKRIFAAVSEGCVEELVELLVELQELCRRRVPDFLMHKLTASDTGKTC
LMKALLNINPNTKEIVRILLAFAEENDILGRFINAEYTEEAYEGQTALNI
AIERRQGDIAALLIAAGADVNAHAKGAFFNPKYQHEGFYFGETPLALAAC
TNQPEIVQLLMEHEQTDITSRDSRGNNILHALVTVAEDFKTQNDFVKRMY
DMILLRSGNWELETTRNNDGLTPLQLAAKMGKAEILKYILSREIKEKRLR
SLSRKFTDWAYGPVSSSLYDLTNVDTTTDNSVLEITVYNTNIDNRHEMLT
LEPLHTLLHMKWKKFAKHMFFLSFCFYFFYNITLTLVSYYRPRGWLQLLG
RMFVLIWAMCISVKEGIAIFLLSDAWFHFVFFIQAVLVILSVFLYLFAYK
EYLACLVLAMALGWANMLYYTRGFQSMGMYSVMIQKVILHDVLKFLFVYI
VFLLGFGVALASLIEKCPKDCSSYGSFSDAVLELFKLTIGLGDLNIQQNS
KYPILFLFLLITYVILTFVLLLNMLIALMGETVENVSKESERIWRLQRAR
TILEFEKMLPEWLRSRFRMGELCKVAEDDFRLCLRINEVKWTEWKTHVSF
LNEDPG
Ligand information
Ligand ID6OU
InChIInChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1
InChIKeyFHQVHHIBKUMWTI-OTMQOFQLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
FormulaC39 H76 N O8 P
Name[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
ChEMBL
DrugBank
ZINCZINC000008437520
PDB chain7xj0 Chain A Residue 1502 [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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PDB7xj0 Structural basis of TRPV3 inhibition by an antagonist.
Resolution2.53 Å
Binding residue
(original residue number in PDB)		Y594 F633
Binding residue
(residue number reindexed from 1)		Y449 F485
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
Biological Process
GO:0006091 generation of precursor metabolites and energy
GO:0006811 monoatomic ion transport
GO:0008218 bioluminescence
GO:0009266 response to temperature stimulus
GO:0042636 negative regulation of hair cycle
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
GO:0090280 positive regulation of calcium ion import
Cellular Component
GO:0005737 cytoplasm
GO:0005764 lysosome
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0043235 receptor complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7xj0, PDBe:7xj0, PDBj:7xj0
PDBsum7xj0
PubMed36302896
UniProtQ8NET8|TRPV3_HUMAN Transient receptor potential cation channel subfamily V member 3 (Gene Name=TRPV3)

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