Structure of PDB 8tf4 Chain C Binding Site BS02

Receptor Information
>8tf4 Chain C (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 IDERG
InChIInChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
InChIKeyDNVPQKQSNYMLRS-APGDWVJJSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C
OpenEye OEToolkits 1.5.0CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
CACTVS 3.341CC(C)[CH](C)C=C[CH](C)[CH]1CC[CH]2C3=CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
ACDLabs 10.04OC4CCC3(C(=CC=C1C3CCC2(C(C(/C=C/C(C)C(C)C)C)CCC12)C)C4)C
FormulaC28 H44 O
NameERGOSTEROL
ChEMBLCHEMBL1232562
DrugBankDB04038
ZINCZINC000004084618
PDB chain8tf4 Chain C Residue 802 [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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PDB8tf4 Structural mechanism of TRPV5 inhibition by econazole.
Resolution2.86 Å
Binding residue
(original residue number in PDB)		F425 F456 V459 L460 T479 I482 Q483 I486
Binding residue
(residue number reindexed from 1)		F390 F421 V424 L425 T444 I447 Q448 I451
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8tf4, PDBe:8tf4, PDBj:8tf4
PDBsum8tf4
PubMed38141613
UniProtQ9XSM3|TRPV5_RABIT Transient receptor potential cation channel subfamily V member 5 (Gene Name=Trpv5)

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