Structure of PDB 7fac Chain A Binding Site BS01

Receptor Information

>7fac Chain A (length=524) Species: 694009 (Severe acute respiratory syndrome-related coronavirus)

GFMGRIRSVYPVASPQECNNMHLSTLMKCNHCDEVSWQTCDFLKATCEHC
GTENLVIEGPTTCGYLPTNAVVKMPCPACQDPEIGPEHSVADYHNHSNIE
TRLRKGGRTRCFGGCVFAYVGCYNKRAYWVPRASADIGSGHTGITGDNVE
TLNEDLLEILSRERVNINIVGDFHLNEEVAIILASFSASTSAFIDTIKSL
DYKSFKTIVESCGNYKVTKGKPVKGAWNIGQQRSVLTPLCGFPSQAAGVI
RSIFARTLDAANHSIPDLQRAAVTILDGISEQSLRLVDAMVYTSDLLTNS
VIIMAYVTGGLVQQTSQWLSNLLGTTVEKLRPIFEWIEAKLSAGVEFLKD
AWEILKFLITGVFDIVKGQIQVASDNIKDCVKCFIDVVNKALEMCIDQVT
IAGAKLRSLNLGEVFIAQSKGLYRQCIRGKEQLQLLMPLKAPKEVTFLEG
DSHDTVLTSEEVVLKNGELEALETPVDSFTNGAIVGTPVCVNGLMLLEIK
DKEQYCALSPGLLATNNVFRLKGG

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: 7fac Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7fac Crystal Structure of N-terminus of the non-structural protein 2 from SARS coronavirus
• Resolution: 2.71 Å
• Binding residue (original residue number in PDB): C32 C35 C50
• Binding residue (residue number reindexed from 1): C29 C32 C47
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.1.1.-
  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.-

External links

• PDB: RCSB:7fac, PDBe:7fac, PDBj:7fac
• PDBsum: 7fac
• PubMed: 35729072
• UniProt: P0C6X7|R1AB_SARS Replicase polyprotein 1ab (Gene Name=rep)