Structure of PDB 8j6q Chain R Binding Site BS03

Receptor Information
>8j6q Chain R (length=295) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DHFLEIDKKNCCVFRDDFIVKVLPPVLGLEFIFGLLGNGLALWIFCFHLK
SWKSSRIFLFNLAVADFLLIICLPFLMDNYVRRWDWKFGDIPCRLMLFML
AMNRQGSIIFLTVVAVDRYFRVVHPHHALNKISNRTAAIISCLLWGITIG
LTVHLLKKKMPIQNGGANLCSSFSICHTFQWHEAMFLLEFFLPLGIILFC
SARIIWSLRQRQMDRHAKIKRAITFIMVVAIVFVICFLPSVVVRIRIFWL
LHTSGTQNCEVYRSVDLAFFITLSFTYMNSMLDPVVYYFSSPSFN
Ligand information
Ligand ID3HR
InChIInChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
InChIKeyWHBMMWSBFZVSSR-GSVOUGTGSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)CC(O)C
CACTVS 3.370C[CH](O)CC(O)=O
OpenEye OEToolkits 1.7.6CC(CC(=O)O)O
OpenEye OEToolkits 1.7.6C[C@H](CC(=O)O)O
CACTVS 3.370C[C@@H](O)CC(O)=O
FormulaC4 H8 O3
Name(3R)-3-hydroxybutanoic acid
ChEMBLCHEMBL1162484
DrugBank
ZINCZINC000000895486
PDB chain8j6q Chain R Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8j6q Orthosteric and allosteric modulation of human HCAR2 signaling complex.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		R111 S178 S179 F180 Y284
Binding residue
(residue number reindexed from 1)		R104 S171 S172 F173 Y277
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8j6q, PDBe:8j6q, PDBj:8j6q
PDBsum8j6q
PubMed37993467
UniProtQ8TDS4|HCAR2_HUMAN Hydroxycarboxylic acid receptor 2 (Gene Name=HCAR2)

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