Structure of PDB 4kxj Chain A Binding Site BS01

Receptor Information
>4kxj Chain A (length=135) Species: 31631 (Human coronavirus OC43) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EFNVVPYYSWFSGITQFQKGKEFEFVEGQGVPIAPGVPATEAKGYWYRHN
RRSFKTADGQRQLLPRWYFYYLGTGPHAKDQYGTDIDGVYWVASNQADVN
TPADIVDRDPSSDEAIPTRFPPGTVLPQGYYIEGS
Ligand information
Ligand IDP34
InChIInChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyUYJZZVDLGDDTCL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2
CACTVS 3.341CN(C)CC(=O)Nc1ccc2NC(=O)c3ccccc3c2c1
ACDLabs 10.04O=C(Nc3ccc1c(c2c(C(=O)N1)cccc2)c3)CN(C)C
FormulaC17 H17 N3 O2
NameN~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
ChEMBLCHEMBL372303
DrugBankDB08348
ZINCZINC000000008960
PDB chain4kxj Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4kxj Structural basis for the identification of the N-terminal domain of coronavirus nucleocapsid protein as an antiviral target
Resolution2.65 Å
Binding residue
(original residue number in PDB)		F57 P61 Y62 Y63 S64 H104 Y124 Y126
Binding residue
(residue number reindexed from 1)		F2 P6 Y7 Y8 S9 H49 Y68 Y70
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0019013 viral nucleocapsid

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Molecular Function
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Cellular Component
External links
PDB RCSB:4kxj, PDBe:4kxj, PDBj:4kxj
PDBsum4kxj
PubMed24564608
UniProtP33469|NCAP_CVHOC Nucleoprotein (Gene Name=N)

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