Structure of PDB 9brd Chain k Binding Site BS02

Receptor Information
>9brd Chain k (length=150) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NNPEYSSFFGVMGASSAMVFSAMGAAYGTAKSGTGIAAMSVMRPELIMKS
IIPVVMAGIIAIYGLVVAVLIANSLTDGITLYRSFLQLGAGLSVGLSGLA
AGFAIGIVGDAGVRGTAQQPRLFVGMILILIFAEVLGLYGLIVALILSTK
Ligand information
Ligand IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain9brd Chain k Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB9brd High-resolution electron cryomicroscopy of V-ATPase in native synaptic vesicles.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		I64 Y68 V71
Binding residue
(residue number reindexed from 1)		I59 Y63 V66
Annotation score4
Gene Ontology
Molecular Function
GO:0031625 ubiquitin protein ligase binding
Biological Process
GO:0030177 positive regulation of Wnt signaling pathway
GO:0070374 positive regulation of ERK1 and ERK2 cascade
GO:0097401 synaptic vesicle lumen acidification
GO:1902600 proton transmembrane transport
GO:1904093 negative regulation of autophagic cell death
Cellular Component
GO:0000220 vacuolar proton-transporting V-type ATPase, V0 domain
GO:0008021 synaptic vesicle
GO:0016020 membrane
GO:0030665 clathrin-coated vesicle membrane
GO:0030672 synaptic vesicle membrane
GO:0031410 cytoplasmic vesicle
GO:0033176 proton-transporting V-type ATPase complex
GO:0045202 synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:9brd, PDBe:9brd, PDBj:9brd
PDBsum9brd
PubMed38900912
UniProtP63081|VATL_RAT V-type proton ATPase 16 kDa proteolipid subunit c (Gene Name=Atp6v0c)

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