Structure of PDB 7msx Chain A Binding Site BS03

Receptor Information

>7msx Chain A (length=473) Species: 2697049 (Severe acute respiratory syndrome coronavirus 2)

RYVDNNFCGPDGYPLECIKDLLARAGKASCTLSEQLDFIDTKRGVYCCRE
HEHEIAWYTERSEKSYELQTPFEIKLAKKFDTFNGECPNFVFPLNSIIKT
IRIRSVYPVASPNECNQMCLSTLMKCDHCGETSWQTGDFVKATCEFCGTE
NLTKEGATTCGYLPQNAVVKIYCPACHNSEVGPEHSLAEYHNESGLKTIL
RKGGRTIAFGGCVFSYVGCHNKCAYWVPRASANIGCNHTGVVGEGSEGLN
DNLLEILQKEKVNINIVGDFKLNEEIAIILASFSASTSAFVETVKGLDYK
AFKQIVESCGNFKVTKGKAKKGAWNIGEQKSILSPLYAFASEAARVVRSI
FSRTLETAQNSVRVLQKAAITILDGISQYSLRLIDAMMFTSDLATNNLVV
MAYITGGVVQLTSQWLTNIFGTVYEKLKPVLDWLEEKFKEGVEFLRDGWE
IVKFISTCIKESVQTFFKLVNKF

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: 7msx Chain A Residue 703

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7msx CryoEM and AI reveal a structure of SARS-CoV-2 Nsp2, a multifunctional protein involved in key host processes.
• Resolution: 3.15 Å
• Binding residue (original residue number in PDB): C20 C51 H54 H56
• Binding residue (residue number reindexed from 1): C17 C48 H51 H53
• 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.-

External links

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