Structure of PDB 7xc4 Chain A Binding Site BS01

Receptor Information
>7xc4 Chain A (length=127) Species: 2697049 (Severe acute respiratory syndrome coronavirus 2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FQHMGTVSWNLREMLAHAEETRKLMPVCVETKAIVSTIQRKYKGIKIQEG
VVDYGARFYFYTSKTTVASLINTLNDLNETLVTMPLGYVTHGLNLEEAAR
YMRSLKVPATVSVSSPDAVTAYNGYLT
Ligand information
Ligand IDBJ6
InChIInChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)
InChIKeyOFPXSFXSNFPTHF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2c(oc(n2)CCC(=O)O)c3ccccc3
CACTVS 3.385OC(=O)CCc1oc(c2ccccc2)c(n1)c3ccccc3
FormulaC18 H15 N O3
Name3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
ChEMBLCHEMBL1071
DrugBankDB00991
ZINCZINC000049643479
PDB chain7xc4 Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7xc4 Two Binding Sites of SARS-CoV-2 Macrodomain 3 Probed by Oxaprozin and Meclomen.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		V575 K592 I593 Q594 E595
Binding residue
(residue number reindexed from 1)		V29 K46 I47 Q48 E49
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.56: mRNA (guanine-N(7))-methyltransferase.
2.1.1.57: methyltransferase cap1.
2.7.7.48: RNA-directed RNA polymerase.
2.7.7.50: mRNA guanylyltransferase.
3.1.13.-
3.4.19.12: ubiquitinyl hydrolase 1.
3.4.22.-
3.4.22.69: SARS coronavirus main proteinase.
3.6.4.12: DNA helicase.
3.6.4.13: RNA helicase.
4.6.1.-
Gene Ontology
Molecular Function
GO:0002151 G-quadruplex RNA binding

View graph for
Molecular Function
External links
PDB RCSB:7xc4, PDBe:7xc4, PDBj:7xc4
PDBsum7xc4
PubMed36356292
UniProtP0DTD1|R1AB_SARS2 Replicase polyprotein 1ab (Gene Name=rep)

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