Structure of PDB 6b5v Chain D Binding Site BS01

Receptor Information
>6b5v Chain D (length=589) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WEQYRDRVNMLQQERIRDSPLLQAAKENDLRLLKILLLNQSCDFQQRGAV
GETALHVAALYDNLEAATLLMEAAPELAKEPALCEPFVGQTALHIAVMNQ
NLNLVRALLARGASVSARATGAAFRRSPHNLIYYGEHPLSFAACVGSEEI
VRLLIEHGADIRAQDSLGNTVLHILILQPNKTFACQMYNLLLSYDEHSDH
LQSLELVPNHQGLTPFKLAGVEGNTVMFQHLMQKRKHVQWTCGPLTSTLY
DLTEIDSWGEELSFLELVVSSKKREARQILEQTPVKELVSFKWKKYGRPY
FCVLASLYILYMICFTTCCIYRPLKLRAYVTHQDNIRLVGELVTVTGAVI
ILLLEIPDIFRVGASRYFGQTILGGPFHVIIITYASLVLLTMVMRLTNMN
GEVVPLSFALVLGWCSVMYFARGFQMLGPFTIMIQKMIFGDLMRFCWLMA
VVILGFASAFHITFQTEDPNNLGEFSDYPTALFSTFELFLTIIDGPANYS
VDLPFMYCITYAAFAIIATLLMLNLFIAMMGDTHWRVAQERDELWRAQVV
ATTVMLERKMPRFLWPRSGICGYEYGLGDRWFLRVENHH
Ligand information
Ligand IDECL
InChIInChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m0/s1
InChIKeyLEZWWPYKPKIXLL-SFHVURJKSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Clc1ccc(CO[C@@H](Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1
ACDLabs 12.01Clc1ccc(c(Cl)c1)C(OCc2ccc(Cl)cc2)Cn3ccnc3
OpenEye OEToolkits 1.7.6c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl
OpenEye OEToolkits 1.7.6c1cc(ccc1CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl
CACTVS 3.370Clc1ccc(CO[CH](Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1
FormulaC18 H15 Cl3 N2 O
Name1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole;
R-Econazole
ChEMBLCHEMBL1232474
DrugBank
ZINCZINC000000643055
PDB chain6b5v Chain D Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6b5v Structural basis of TRPV5 channel inhibition by econazole revealed by cryo-EM.
Resolution4.8 Å
Binding residue
(original residue number in PDB)		F425 F456 L460
Binding residue
(residue number reindexed from 1)		F377 F408 L412
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:0005516 calmodulin binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0006816 calcium ion transport
GO:0035809 regulation of urine volume
GO:0051289 protein homotetramerization
GO:0055074 calcium ion homeostasis
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
GO:0098703 calcium ion import across plasma membrane
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0016324 apical plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6b5v, PDBe:6b5v, PDBj:6b5v
PDBsum6b5v
PubMed29323279
UniProtQ9XSM3|TRPV5_RABIT Transient receptor potential cation channel subfamily V member 5 (Gene Name=Trpv5)

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