ISDA: 31GI

Deposition Date 2026-06-02

Release Date 2026-09-16

Last Version Date 2026-09-16

Entry Detail

PDB ID:

31GI

Keywords:

VIRAL PROTEIN

Title:

Crystal structure of SARS-CoV-2 main protease (MPro) inactive mutant C145A in complex with nsp4/5-derived peptide (Dabcyl-KTSAVLQSGFRKME-Edans)

Biological Source:

Source Organism(s):

Severe acute respiratory syndrome coronavirus 2 (Taxon ID: 2697049)

Expression System(s):

Escherichia coli

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

1.47 Å

R-Value Free:

0.19

R-Value Work:

0.15

R-Value Observed:

0.16

Space Group:

P 21 21 21

Download Validation Report

Macromolecular Entities

Structures with similar UniProt ID

Structural Superimposition Protein Blast

Polymer Type:polypeptide(L)
Molecule:3C-like proteinase nsp5
Gene (Uniprot):rep
Chain IDs:A, B
Chain Length:308
Number of Molecules:2
Biological Source:Severe acute respiratory syndrome coronavirus 2

UniProt ID:P0DTD1 Pfam ID:PF05409 EC:2.7.7.48

Structures with similar UniProt ID

Structural Superimposition Protein Blast

Polymer Type:polypeptide(L)
Molecule:Replicase polyprotein 1a
Chain IDs:C, D
Chain Length:14
Number of Molecules:2
Biological Source:Severe acute respiratory syndrome coronavirus 2

UniProt ID:P0DTC1

Primary Citation

From Inhibitor to Reporter: Nirmatrelvir-Derived Fluorogenic Substrates for the SARS-CoV-2 Main Protease.

Voget, R, Steiger, V, Sylvester, K, Yang, C.C, Kohout, L.V, Thimm, D, Breidenbach, J, Strater, N, Muller, C.E, Gutschow, M.Show

Acs Chem.Biol. ? ? ? (2026)

PMID: 42701098 DOI: 10.1021/acschembio.6c00577

Primary Citation of related structures

Feedback Form