Structure of PDB 8k5d Chain A Binding Site BS01

Receptor Information
>8k5d Chain A (length=291) Species: 9606 (Homo sapiens) [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 IDOKL
InChIInChI=1S/C10H13ClN4O2/c1-2-3-4-5-15-7-6(12-9(11)13-7)8(16)14-10(15)17/h2-5H2,1H3,(H,12,13)(H,14,16,17)
InChIKeyCGAMDQCXAAOFSR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCN1c2c([nH]c(n2)Cl)C(=O)NC1=O
CACTVS 3.385CCCCCN1C(=O)NC(=O)c2[nH]c(Cl)nc12
FormulaC10 H13 Cl N4 O2
Name8-chloranyl-3-pentyl-7H-purine-2,6-dione
ChEMBLCHEMBL3730241
DrugBank
ZINC
PDB chain8k5d Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8k5d Structural basis for ligand recognition and signaling of hydroxy-carboxylic acid receptor 2
Resolution3.74 Å
Binding residue
(original residue number in PDB)		L83 Y87 R111 C177 S178 S179 Y284
Binding residue
(residue number reindexed from 1)		L75 Y79 R103 C169 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: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:8k5d, PDBe:8k5d, PDBj:8k5d
PDBsum8k5d
PubMed37932263
UniProtQ8TDS4|HCAR2_HUMAN Hydroxycarboxylic acid receptor 2 (Gene Name=HCAR2)

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