Structure of PDB 8frj Chain A Binding Site BS01

Receptor Information

>8frj Chain A (length=264) Species: 9606,2697049

LPAHLRLQPIYWSRDDVAQWLKWAENEFSLRPIDSNTFEMNGKALLLLTK
EDFRYRSPHSGDELYELLQHILAQPAAGDELKINAACRKVQHMVVKAALL
ADKFPVLHDIGNPKAIKCVPQADVEWKFYDAQPCSDKAYKIEELFYSYAT
HSDKFTDGVCLFWNCNVDRYPANSIVCRFDKSAFVNLKQLPFFYYSDSPC
ESHVPLKSATCITRCNLGGAVCRHHANEYRLYLDAYNMMISAGFSLWVYK
QFDTYNLWNTFTRL

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 8frj Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8frj Structures of SARS-CoV-2 N7-methyltransferase with DOT1L and PRMT7 inhibitors provide a platform for new antivirals.
• Resolution: 1.57 Å
• Binding residue (original residue number in PDB): C452 C477 C484 H487
• Binding residue (residue number reindexed from 1): C200 C215 C222 H225
• 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:0004482 mRNA 5'-cap (guanine-N7-)-methyltransferase activity
• GO:0004532 RNA exonuclease activity
• GO:0008168 methyltransferase activity
• GO:0043565 sequence-specific DNA binding

External links

• PDB: RCSB:8frj, PDBe:8frj, PDBj:8frj
• PDBsum: 8frj
• PubMed: 37523415
• UniProt: P0DTD1|R1AB_SARS2 Replicase polyprotein 1ab (Gene Name=rep);
  P41212|ETV6_HUMAN Transcription factor ETV6 (Gene Name=ETV6)