Structure of PDB 8ihj Chain R Binding Site BS01

Receptor Information
>8ihj Chain R (length=283) Species: 562,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NCCVFRDDFIAKVLPPVLGLEFIFGLLGNGLALWIFCFHLKSWKSSRIFL
FNLAVADFLLIICLPFVMDYYVRRSDWKFGDIPCRLVLFMFAMNRQGSII
FLTVVAVDRYFRVVHPHHALNKISNWTAAIISCLLWGITVGLTVHLLKKK
LLIQNGTANVCISFSICHTFRWHEAMFLLEFFLPLGIILFCSARIIWSLR
QRQMDRHAKIKRAITFIMVVAIVFVICFLPSVVVRIHIFWLLHTSGTQNC
EVYRSVDLAFFITLSFTYMNSMLDPVVYYFSSP
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 chain8ihj 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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PDB8ihj Structural basis of signaling mechanisms of Hydroxycarboxylic acid receptors through ligand binding
Resolution3.07 Å
Binding residue
(original residue number in PDB)		V83 L104 F107 R111 F180 F277 L280
Binding residue
(residue number reindexed from 1)		V67 L88 F91 R95 F164 F261 L264
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:0007186 G protein-coupled receptor signaling pathway
GO:0022900 electron transport chain
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:8ihj, PDBe:8ihj, PDBj:8ihj
PDBsum8ihj
PubMed37736747
UniProtP0ABE7|C562_ECOLX Soluble cytochrome b562 (Gene Name=cybC);
P49019

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