PDBsum entry 8hef

Viral protein

PDB id: 8hef

Contents

Protein chains

301 a.a.

Ligands

7YY ×2

GOL

Waters ×521

PDB id:

8hef

Name:

Viral protein

Title:

The crystal structure of deuterated s-217622 (ensitrelvir) bound to the main protease (3clpro/mpro) of sars-cov-2

Structure:

3c-like proteinase. Chain: a, b. Synonym: 3cl-pro, 3clp, main protease, mpro, non-structural protein 5, nsp5, sars coronavirus main proteinase. Engineered: yes

Source:

Severe acute respiratory syndrome coronavirus 2. 2019-ncov, sars-cov-2. Organism_taxid: 2697049. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008

Resolution:

1.51Å R-factor: 0.135 R-free: 0.170

Authors:

M.Yan,H.Zhang

Key ref:

Y.Yang et al. (2023). Synthesis of deuterated s-217622 (ensitrelvir) with antiviral activity against coronaviruses including sars-Cov-2.. Antiviral res, 213, 05586. PubMed id: 36997073

Date:

08-Nov-22 Release date: 19-Apr-23

Protein chains

P0DTD1  (R1AB_SARS2) -

Enzyme reactions

• Enzyme class: E.C.3.4.22.69 - Sars coronavirus main proteinase.