Structure of PDB 8tf4 Chain D Binding Site BS01

Receptor Information
>8tf4 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 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 A Residue 801 [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)		I557 A561 I565
Binding residue
(residue number reindexed from 1)		I522 A526 I530
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: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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