› 4p16

X-ray diffraction
2.5Å resolution

Crystal structure of the papain-like protease of Middle-East Respiratory Syndrome coronavirus

Released:
DOI: 10.2210/pdb4p16/pdb
PDB entry 4p16 coloured by chain, front view.
PDB entry 4p16 coloured by chain, side view.
PDB entry 4p16 coloured by chain, top view.
Source organism: Human betacoronavirus 2c EMC/2012
Primary publication:
Crystal structure of the papain-like protease of MERS coronavirus reveals unusual, potentially druggable active-site features.
Lei J, Mesters JR, Drosten C, Anemüller S, Ma Q, Hilgenfeld R
OpenAccess logo Antiviral Res 109 72-82 (2014)
PMID: 24992731

Function and Biology Details

Reactions catalysed: 
S-adenosyl-L-methionine + a 5'-(N(7)-methyl 5'-triphosphoguanosine)-(ribonucleotide)-[mRNA] = S-adenosyl-L-homocysteine + a 5'-(N(7)-methyl 5'-triphosphoguanosine)-(2'-O-methyl-ribonucleotide)-[mRNA]
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).
ATP + H(2)O = ADP + phosphate
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-516441 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
ORF1ab Chain: A
Molecule details ›
Chain: A
Length: 326 amino acids
Theoretical weight: 36.25 KDa
Source organism: Human betacoronavirus 2c EMC/2012
Expression system: Escherichia coli-Pichia pastoris shuttle vector pPpB1GAP
UniProt:
  • Canonical: K0BWD0 (Residues: 1482-1801; Coverage: 5%)
Gene name: orf1ab
Sequence domains: Coronavirus papain-like peptidase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand ZN 1 x ZN
1 modified residue:
Ligand CME 1 x CME

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, DESY BEAMLINE P11
Spacegroup: C2
Unit cell:
a: 100.891Å b: 47.666Å c: 88.425Å
α: 90° β: 122.35° γ: 90°
R-values:
R R work R free
0.189 0.187 0.234
Expression system: Escherichia coli-Pichia pastoris shuttle vector pPpB1GAP

Quick links

Citations

23 review citations

Middle East respiratory syndrome coronavirus: another zoonotic betacoronavirus causing SARS-like disease.
Chan et al. (2015)
22 more

158 mentions without citation

The SLC2 (GLUT) family of membrane transporters.
Mueckler et al. (2013)
157 more