Structure of PDB 8tf3 Chain D Binding Site BS03

Receptor Information
>8tf3 Chain D (length=602) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DWEQYRDRVNMLQQERIRDSPLLQAAKENDLRLLKILLLNDFQQRGAVGE
TALHVAALYDNLEAATLLMEAAPELAKEPALCEPFVGQTALHIAVMNQNL
NLVRALLARGASVSARATGAAFRRSPHNLIYYGEHPLSFAACVGSEEIVR
LLIEHGADIRAQDSLGNTVLHILILQPNKTFACQMYNLLLSYDEQSLELV
PNHQGLTPFKLAGVEGNTVMFQHLMQKRKHVQWTCGPLTSTLYDLTEIDS
WGEELSFLELVVSSKKREARQILEQTPVKELVSFKWKKYGRPYFCVLASL
YILYMICFTTCCIYRPLKLRDDNRTDPRDITILQQKLLQEAYVTHQDNIR
LVGELVTVTGAVIILLLEIPDIFRVGASRYFGQTILGGPFHVIIITYASL
VLLTMVMRLTNMNGEVVPLSFALVLGWCSVMYFARGFQMLGPFTIMIQKM
IFGDLMRFCWLMAVVILGFASAFHITFQTEDPNNLGEFSDYPTALFSTFE
LFLTIIDGPANYSVDLPFMYCITYAAFAIIATLLMLNLFIAMMGDTHWRV
AQERDELWRAQVVATTVMLERKMPRFLWPRSGICGYEYGLGDRWFLRVEN
HH
Ligand information
Ligand IDECN
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-/m1/s1
InChIKeyLEZWWPYKPKIXLL-GOSISDBHSA-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
CACTVS 3.370Clc1ccc(CO[CH](Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1
FormulaC18 H15 Cl3 N2 O
Name1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE;
S-Econazole
ChEMBL
DrugBankDB07705
ZINCZINC000000596881
PDB chain8tf3 Chain A Residue 804 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8tf3 Structural mechanism of TRPV5 inhibition by econazole.
Resolution2.94 Å
Binding residue
(original residue number in PDB)		W495 L496
Binding residue
(residue number reindexed from 1)		W460 L461
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:8tf3, PDBe:8tf3, PDBj:8tf3
PDBsum8tf3
PubMed38141613
UniProtQ9XSM3|TRPV5_RABIT Transient receptor potential cation channel subfamily V member 5 (Gene Name=Trpv5)

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