Structure of PDB 8ihi Chain R Binding Site BS01

Receptor Information
>8ihi Chain R (length=292) Species: 562,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HFLEIDKKNCCVFRDDFIVKVLPPVLGLEFIFGLLGNGLALWIFCFHLKS
WKSSRIFLFNLAVADFLLIICLPFLMDNYVRRWDWKFGDIPCRLMLFMLA
MNRQGSIIFLTVVAVDRYFRVVHPHHALNKISNRTAAIISCLLWGITIGL
TVHLLKKKMPIQNGGANLCSSFSICHTFQWHEAMFLLEFFLPLGIILFCS
ARIIWSLRQRQMDRHAKIKRAITFIMVVAIVFVICFLPSVVVRIRIFWLL
HTSGTQNCEVYRSVDLAFFITLSFTYMNSMLDPVVYYFSSPS
Ligand information
Ligand IDP9X
InChIInChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)/t12-/m0/s1
InChIKeyDFDGRKNOFOJBAJ-LBPRGKRZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1(C(=O)C=C(O1)C(=O)O)c2ccccc2
CACTVS 3.385C[C@]1(OC(=CC1=O)C(O)=O)c2ccccc2
OpenEye OEToolkits 2.0.7C[C@@]1(C(=O)C=C(O1)C(=O)O)c2ccccc2
CACTVS 3.385C[C]1(OC(=CC1=O)C(O)=O)c2ccccc2
FormulaC12 H10 O4
Name(5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid;
Acifran
ChEMBL
DrugBank
ZINCZINC000000000010
PDB chain8ihi Chain R Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ihi Structural basis of signaling mechanisms of Hydroxycarboxylic acid receptors through ligand binding
Resolution3.11 Å
Binding residue
(original residue number in PDB)		L83 L104 L107 R111 C177 S178 F180
Binding residue
(residue number reindexed from 1)		L75 L96 L99 R103 C169 S170 F172
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0005506 iron ion binding
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0046872 metal ion binding
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:0022900 electron transport chain
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
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8ihi, PDBe:8ihi, PDBj:8ihi
PDBsum8ihi
PubMed37736747
UniProtP0ABE7|C562_ECOLX Soluble cytochrome b562 (Gene Name=cybC);
Q8TDS4|HCAR2_HUMAN Hydroxycarboxylic acid receptor 2 (Gene Name=HCAR2)

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