› 5nh0

X-ray diffraction
2.35Å resolution

Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide tert-Butyl ((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)b- utan-2-yl)carbamate (tert-butyl -GlnLactam-CO-CO-NH-benzyl)

Released:
DOI: 10.2210/pdb5nh0/pdb
PDB 5nh0 coloured by chain and viewed from the front.
PDB 5nh0 coloured by chain and viewed from the side.
PDB 5nh0 coloured by chain and viewed from the top.
Source organism: Human coronavirus NL63
Entry authors: Zhang L, Hilgenfeld R

Function and Biology Details

Reactions catalysed: 
Nucleoside triphosphate + RNA(n) = diphosphate + RNA(n+1)
ATP + H(2)O = ADP + phosphate
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).
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo hexamer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3C-like proteinase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 300 amino acids
Theoretical weight: 32.41 KDa
Source organism: Human coronavirus NL63
Expression system: Escherichia coli
UniProt:
  • Canonical: P0C6X5 (Residues: 2940-3239; Coverage: 5%)
Gene names: 1a-1b, rep
Sequence domains: Coronavirus endopeptidase C30
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand 8X8 3 x 8X8
Ligand DMS 3 x DMS
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: C2221
Unit cell:
a: 133.65Å b: 211.29Å c: 118.26Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.19 0.232
Expression system: Escherichia coli

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