› 2zu2

X-ray diffraction
1.8Å resolution

complex structure of CoV 229E 3CL protease with EPDTC

Released:
DOI: 10.2210/pdb2zu2/pdb
PDB entry 2zu2 coloured by chain, front view.
PDB entry 2zu2 coloured by chain, side view.
PDB entry 2zu2 coloured by chain, top view.
Source organism: Human coronavirus 229E
Primary publication:
Structural basis of inhibition specificities of 3C and 3C-like proteases by zinc-coordinating and peptidomimetic compounds.
Lee CC, Kuo CJ, Ko TP, Hsu MF, Tsui YC, Chang SC, Yang S, Chen SJ, Chen HC, Hsu MC, Shih SR, Liang PH, Wang AH
J Biol Chem 284 7646-55 (2009)
PMID: 19144641

Function and Biology Details

Reaction catalysed: 
Thiol-dependent hydrolysis of ester, thioester, amide, peptide and isopeptide bonds formed by the C-terminal Gly of ubiquitin (a 76-residue protein attached to proteins as an intracellular targeting signal).
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-143064 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3C-like proteinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 302 amino acids
Theoretical weight: 33.08 KDa
Source organism: Human coronavirus 229E
Expression system: Escherichia coli
UniProt:
  • Canonical: P0C6U2 (Residues: 2966-3267; Coverage: 7%)
Gene name: 1a
Sequence domains: Coronavirus endopeptidase C30
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand MPD 1 x MPD
Ligand DTZ 2 x DTZ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE BL-6A
Spacegroup: P21
Unit cell:
a: 53.47Å b: 76.81Å c: 76.67Å
α: 90° β: 90.96° γ: 90°
R-values:
R R work R free
0.198 0.187 0.222
Expression system: Escherichia coli

Quick links

Citations

19 review citations

From SARS to MERS: crystallographic studies on coronaviral proteases enable antiviral drug design.
Hilgenfeld R. (2014)
18 more

25 mentions without citation

Targeting novel structural and functional features of coronavirus protease nsp5 (3CLpro, Mpro) in the age of COVID-19.
Roe et al. (2021)
24 more