Structure of PDB 7kri Chain A Binding Site BS01

Receptor Information

>7kri Chain A (length=127) Species: 2697049 (Severe acute respiratory syndrome coronavirus 2)

HHSAALEVLFQGPGNNELSPVALRQMSCAAGTTQTACTDDNALAYYNTTK
GGRFVLALLSDLQDLKWARFPKSDGTGTIYTELEPPCRFVTDTPKGPKVK
YLYFIKGLNNLNRGMVLGSLAATVRLQ

Ligand information

• Ligand ID: X0Y
• InChI: InChI=1S/C8H9N3O2/c1-10-6-4-9-3-5(6)7(12)11(2)8(10)13/h3-4,9H,1-2H3
• InChIKey: MNPOFAXKBZPGNK-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CN1c2c[nH]cc2C(=O)N(C1=O)C
  ACDLabs 12.01: C1(N(C(=O)N(c2c1cnc2)C)C)=O
  CACTVS 3.385: CN1C(=O)N(C)c2c[nH]cc2C1=O
• Formula: C8 H9 N3 O2
• Name: 1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
• ZINC: ZINC000084324960
• PDB chain: 7kri Chain A Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7kri Binding of a pyrimidine RNA base-mimic to SARS-CoV-2 nonstructural protein 9.
• Resolution: 1.58 Å
• Binding residue (original residue number in PDB): N33 T35 F40 L42 N98
• Binding residue (residue number reindexed from 1): N47 T49 F54 L56 N112
• Annotation score: 1

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:0003723 RNA binding

Biological Process

• GO:0019079 viral genome replication

External links

• PDB: RCSB:7kri, PDBe:7kri, PDBj:7kri
• PDBsum: 7kri
• PubMed: 34331944
• UniProt: P0DTD1|R1AB_SARS2 Replicase polyprotein 1ab (Gene Name=rep)