› 6w5j

X-ray diffraction
1.85Å resolution

1.85 A resolution structure of Norovirus 3CL protease in complex with inhibitor 7d

Released:
DOI: 10.2210/pdb6w5j/pdb
PDB entry 6w5j coloured by chain, front view.
PDB entry 6w5j coloured by chain, side view.
PDB entry 6w5j coloured by chain, top view.
Source organism: Norovirus Hu/1968/US
Primary publication:
Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease.
Rathnayake AD, Kim Y, Dampalla CS, Nguyen HN, Jesri AM, Kashipathy MM, Lushington GH, Battaile KP, Lovell S, Chang KO, Groutas WC
J Med Chem 63 11945-11963 (2020)
PMID: 32945669

Function and Biology Details

Reactions catalysed: 
Nucleoside triphosphate + RNA(n) = diphosphate + RNA(n+1)
Endopeptidase with a preference for cleavage when the P1 position is occupied by Glu-|- and the P1' position is occupied by Gly-|-
NTP + H(2)O = NDP + phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-182856 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3C-like protease Chains: A, B
Molecule details ›
Chains: A, B
Length: 187 amino acids
Theoretical weight: 19.99 KDa
Source organism: Norovirus Hu/1968/US
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q83883 (Residues: 1101-1281; Coverage: 10%)
Gene name: ORF1

Ligands and Environments

1 bound ligand:
Ligand TKS 2 x TKS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P21
Unit cell:
a: 37.469Å b: 34.986Å c: 111.473Å
α: 90° β: 97.6° γ: 90°
R-values:
R R work R free
0.201 0.198 0.246
Expression system: Escherichia coli BL21

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Citations

2 review citations

Current and Future Antiviral Strategies to Tackle Gastrointestinal Viral Infections.
Santos-Ferreira et al. (2021)
1 more