Structure of PDB 8i7v Chain A Binding Site BS01

Receptor Information
>8i7v Chain A (length=291) 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
HTSGTQNCEVYRSVDLAFFITLSFTYMNSMLDPVVYYFSSP
Ligand information
Ligand IDOJX
InChIInChI=1S/C6H6N2O3/c1-4-2-7-5(6(9)10)3-8(4)11/h2-3H,1H3,(H-,7,9,10,11)/p+1
InChIKeySVUSRFFHFGAVHH-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.385Cc1cnc(c[n+]1O)C(O)=O
OpenEye OEToolkits 2.0.7Cc1cnc(c[n+]1O)C(=O)O
FormulaC6 H7 N2 O3
Name5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain8i7v Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8i7v Structural basis for ligand recognition and signaling of hydroxy-carboxylic acid receptor 2.
Resolution2.77 Å
Binding residue
(original residue number in PDB)		Y87 W91 R111 S178 S179 Y284
Binding residue
(residue number reindexed from 1)		Y79 W83 R103 S170 S171 Y276
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8i7v, PDBe:8i7v, PDBj:8i7v
PDBsum8i7v
PubMed37932263
UniProtP0ABE7|C562_ECOLX Soluble cytochrome b562 (Gene Name=cybC);
Q8TDS4|HCAR2_HUMAN Hydroxycarboxylic acid receptor 2 (Gene Name=HCAR2)

[Back to BioLiP]