Structure of PDB 8j6l Chain R Binding Site BS01

Receptor Information
>8j6l Chain R (length=293) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QDHFLEIDKKNCCVFRDDFIVKVLPPVLGLEFIFGLLGNGLALWIFCFHS
WKSSRIFLFNLAVADFLLIICLPFLMDNYVRRWDWKFGDIPCRLMLFMLA
MNRQGSIIFLTVVAVDRYFRVVHPHHALNKISNRTAAIISCLLWGITIGL
TVHLLKKKMPIQNGGANLCSSFSICHTFQWHEAMFLLEFFLPLGIILFCS
ARIIWSLRQRQMDRHAKIKRAITFIMVVAIVFVICFLPSVVVRIRIFWLL
HTSGTQNCEVYRSVDLAFFITLSFTYMNSMLDPVVYYFSSPSF
Ligand information
Ligand IDNIO
InChIInChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
InChIKeyPVNIIMVLHYAWGP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1cccnc1
OpenEye OEToolkits 1.5.0c1cc(cnc1)C(=O)O
CACTVS 3.341OC(=O)c1cccnc1
FormulaC6 H5 N O2
NameNICOTINIC ACID
ChEMBLCHEMBL573
DrugBankDB00627
ZINCZINC000000001795
PDB chain8j6l Chain R Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8j6l Molecular recognition of niacin and lipid-lowering drugs by the human hydroxycarboxylic acid receptor 2.
Resolution3.05 Å
Binding residue
(original residue number in PDB)		L83 L107 R111 S178 F180 L280 Y284
Binding residue
(residue number reindexed from 1)		L75 L99 R103 S170 F172 L272 Y276
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0070553 nicotinic acid receptor activity
Biological Process
GO:0001781 neutrophil apoptotic process
GO:0006915 apoptotic process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0033031 positive regulation of neutrophil apoptotic process
GO:0050995 negative regulation of lipid catabolic process
GO:0070165 positive regulation of adiponectin secretion
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030054 cell junction

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8j6l, PDBe:8j6l, PDBj:8j6l
PDBsum8j6l
PubMed37952153
UniProtQ8TDS4|HCAR2_HUMAN Hydroxycarboxylic acid receptor 2 (Gene Name=HCAR2)

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