Structure of PDB 7jhj Chain R Binding Site BS01

Receptor Information
>7jhj Chain R (length=277) Species: 10376 (human gammaherpesvirus 4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CTKSYSAFLSGMTSLLLVLLILLTLAGILFIIFVRKLVHRMDVWLIALLI
ELLLWVLGKMIQEFSSTGLCLLTQNMMFLGLMCSVWTHLGMALEKTLALF
SRTPKRTSHRNVCLYLMGVFCLVLLLIIILLITMGPDANLNRGPNMCREG
PTKGMHTAVQGLKAGCYLLAAVLIVLLTVIIIWKLLRTKFGRKPRLICNV
TFTGLICAFSWFMLSLPLLFLGEAGSLGFDCTESLVARYYPGPAACLALL
LIILYAWSFSHFMDSLKNQVTVTARYF
Ligand information
Ligand IDY01
InChIInChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChIKeyWLNARFZDISHUGS-MIXBDBMTSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
CACTVS 3.352CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
FormulaC31 H50 O4
NameCHOLESTEROL HEMISUCCINATE
ChEMBL
DrugBank
ZINCZINC000058638837
PDB chain7jhj Chain R Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7jhj Structural basis for the constitutive activity and immunomodulatory properties of the Epstein-Barr virus-encoded G protein-coupled receptor BILF1.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		I77 E78 C110 C140
Binding residue
(residue number reindexed from 1)		I50 E51 C83 C113
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030291 protein serine/threonine kinase inhibitor activity
GO:0030674 protein-macromolecule adaptor activity
Biological Process
GO:0019049 virus-mediated perturbation of host defense response
GO:0039502 symbiont-mediated suppression of host type I interferon-mediated signaling pathway
GO:0039580 symbiont-mediated suppression of host PKR/eIFalpha signaling
GO:0046776 symbiont-mediated suppression of host antigen processing and presentation of peptide antigen via MHC class I
GO:0052170 symbiont-mediated suppression of host innate immune response
GO:1900226 negative regulation of NLRP3 inflammasome complex assembly
Cellular Component
GO:0005741 mitochondrial outer membrane
GO:0016020 membrane
GO:0020002 host cell plasma membrane
GO:0033650 host cell mitochondrion
GO:0044193 host cell mitochondrial outer membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7jhj, PDBe:7jhj, PDBj:7jhj
PDBsum7jhj
PubMed34216564
UniProtP03208|BILF1_EBVB9 G-protein coupled receptor BILF1 (Gene Name=BILF1)

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