Structure of PDB 7kl3 Chain A Binding Site BS03

Receptor Information

>7kl3 Chain A (length=177) Species: 11320 (Influenza A virus)

GSHMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAAICTHLEVCFM
YSDGGSKHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKENR
FIDIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEE
SRARIKTRLFTIRQEMASRSLWDSFRQ

Ligand information

• Ligand ID: RQA
• InChI: InChI=1S/C9H13N3O8S/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H,16,17,18)/t4-,6-,7-,8-/m1/s1
• InChIKey: GSRRMZKNGWBOAT-XVFCMESISA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COS(=O)(=O)O)O)O
  OpenEye OEToolkits 2.0.7: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O
  CACTVS 3.385: NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H]2O
  CACTVS 3.385: NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[S](O)(=O)=O)[CH](O)[CH]2O
  ACDLabs 12.01: C1(N=C(N)C=CN1C2C(O)C(C(COS(=O)(=O)O)O2)O)=O
• Formula: C9 H13 N3 O8 S
• Name: 5'-O-sulfocytidine
• ZINC: ZINC000061947659
• PDB chain: 7kl3 Chain B Residue 101

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7kl3 Structural insights into the substrate specificity of the endonuclease activity of the influenza virus cap-snatching mechanism.
• Resolution: 1.99 Å
• Binding residue (original residue number in PDB): H41 G121 V122 Y130 K137
• Binding residue (residue number reindexed from 1): H44 G105 V106 Y114 K121
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003723 RNA binding

Biological Process

• GO:0039694 viral RNA genome replication

External links

• PDB: RCSB:7kl3, PDBe:7kl3, PDBj:7kl3
• PDBsum: 7kl3
• PubMed: 33469660
• UniProt: A0A5J6VBC3