Structure of PDB 7tw8 Chain A Binding Site BS02

Receptor Information

>7tw8 Chain A (length=264) Species: 9606,2697049

LPAHLRLQPIYWSRDDVAQWLKWAENEFSLRPIDSNTFEMNGKALLLLTK
EDFRYRSPHSGDELYELLQHILAQPAAGDELKINAACRKVQHMVVKAALL
ADKFPVLHDIGNPKAIKCVPQADVEWKFYDAQPCSDKAYKIEELFYSYAT
HSDKFTDGVCLFWNCNVDRYPANSIVCRFDKSAFVNLKQLPFFYYSDSPC
ESHYVPLKSATCITRCNLGGAVCRHHANEYRLYLDAYNMMISAGFSLWVY
KQFDTYNLWNTFTR

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: 7tw8 Chain A Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7tw8 High-resolution structures of the SARS-CoV-2 N7-methyltransferase inform therapeutic development.
• Resolution: 1.55 Å
• Binding residue (original residue number in PDB): C452 C477 C484 H487
• Binding residue (residue number reindexed from 1): C200 C216 C223 H226
• 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:7tw8, PDBe:7tw8, PDBj:7tw8
• PDBsum: 7tw8
• PubMed: 36075969
• UniProt: P0DTD1|R1AB_SARS2 Replicase polyprotein 1ab (Gene Name=rep);
  P41212|ETV6_HUMAN Transcription factor ETV6 (Gene Name=ETV6)