Structure of PDB 9brd Chain i Binding Site BS02

Receptor Information
>9brd Chain i (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 i Residue 203 [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)		I67 Y68 V71 L75 L150
Binding residue
(residue number reindexed from 1)		I62 Y63 V66 L70 L145
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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