Structure of PDB 7xj1 Chain B Binding Site BS02

Receptor Information
>7xj1 Chain B (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
LEPLHTLLHMKWKKFAKHMFFLSFCFYFFYNITLTLVSYYRPRLLGRMFV
LIWAMCISVKEGIAIFLLSILSDAWFHFVFFIQAVLVILSVFLYLFAYKE
YLACLVLAMALGWANMLYYTRGFQSMSMYSVMIQKVILHDVLKFLFVYIV
FLLGFGVALASLIEKCPNKDCSSYGSFSDAVLELFKLTIGLGDLNIQQNS
KYPILFLFLLITYVILTFVLLLNMLIALMGETVENVSKESERIWRLQRAR
TILEFEKMLPEWLRSRFRMGELCKVAEDDFRLCLRINEVKWTEWKTHVSF
LNEDPG
Ligand information
Ligand IDEQK
InChIInChI=1S/C20H17F3N6O3S/c1-19(2,8-24)11-7-10(5-6-25-11)13-14(20(21,22)23)28-18(33-13)29-15(30)12-16(31-3)26-9-27-17(12)32-4/h5-7,9H,1-4H3,(H,28,29,30)
InChIKeyCPIDEBBXBVMQOC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1ncnc(OC)c1C(=O)Nc2sc(c3ccnc(c3)C(C)(C)C#N)c(n2)C(F)(F)F
OpenEye OEToolkits 2.0.7CC(C)(C#N)c1cc(ccn1)c2c(nc(s2)NC(=O)c3c(ncnc3OC)OC)C(F)(F)F
FormulaC20 H17 F3 N6 O3 S
NameN-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxy-pyrimidine-5-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain7xj1 Chain B Residue 1602 [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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PDB7xj1 Structural basis of TRPV3 inhibition by an antagonist.
Resolution2.93 Å
Binding residue
(original residue number in PDB)		L635 T636 I637 G638 V662 T665 F666 L669
Binding residue
(residue number reindexed from 1)		L487 T488 I489 G490 V514 T517 F518 L521
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:7xj1, PDBe:7xj1, PDBj:7xj1
PDBsum7xj1
PubMed36302896
UniProtQ8NET8|TRPV3_HUMAN Transient receptor potential cation channel subfamily V member 3 (Gene Name=TRPV3)

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