Structure of PDB 4lm9 Chain A Binding Site BS01

Receptor Information

>4lm9 Chain A (length=132) Species: 31631 (Human coronavirus OC43)

EFNVVPYYSWFSGITQFQKGKEFEFVEGQGVPIAPGVPATEAKGYWYRHN
RRSFKTADGQLLPRWYFYYLGTGPHAKDQYGTDIDGVYWVASNQADVNTP
ADIVDRDPSSDEAIPTRFPPGTVLPQGYYIEG

Ligand information

• Ligand ID: 5GP
• InChI: InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
• InChIKey: RQFCJASXJCIDSX-UUOKFMHZSA-N
• SMILES:
  CACTVS 3.341: NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
  CACTVS 3.341: NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
  ACDLabs 10.04: O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
  OpenEye OEToolkits 1.5.0: c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
  OpenEye OEToolkits 1.5.0: c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
• Formula: C10 H14 N5 O8 P
• Name: GUANOSINE-5'-MONOPHOSPHATE
• ChEMBL: CHEMBL283807
• DrugBank: DB01972
• ZINC: ZINC000002159505
• PDB chain: 4lm9 Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4lm9 Structural basis for the identification of the N-terminal domain of coronavirus nucleocapsid protein as an antiviral target
• Resolution: 1.601 Å
• Binding residue (original residue number in PDB): F57 P61 Y63 S64 F66 S67 G68 R122 Y124 R164 A171 E189
• Binding residue (residue number reindexed from 1): F2 P6 Y8 S9 F11 S12 G13 R64 Y66 R106 A113 E131
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0003723 RNA binding

Cellular Component

• GO:0019013 viral nucleocapsid

External links

• PDB: RCSB:4lm9, PDBe:4lm9, PDBj:4lm9
• PDBsum: 4lm9
• PubMed: 24564608
• UniProt: P33469|NCAP_CVHOC Nucleoprotein (Gene Name=N)