› 2b0f

Solution NMR

NMR Structure of the Human Rhinovirus 3C Protease (serotype 14) with covalently bound Ace-LEALFQ-ethylpropionate inhibitor

Released:
DOI: 10.2210/pdb2b0f/pdb
PDB entry 2b0f coloured by chain, ensemble of 20 models, front view.
PDB entry 2b0f coloured by chain, ensemble of 20 models, side view.
PDB entry 2b0f coloured by chain, ensemble of 20 models, top view.
Source organisms:
Primary publication:
NMR solution structures of the apo and peptide-inhibited human rhinovirus 3C protease (Serotype 14): structural and dynamic comparison.
Bjorndahl TC, Andrew LC, Semenchenko V, Wishart DS
Biochemistry 46 12945-58 (2007)
PMID: 17944485

Function and Biology Details

Reactions catalysed: 
Nucleoside triphosphate + RNA(n) = diphosphate + RNA(n+1)
Selective cleavage of Gln-|-Gly bond in the poliovirus polyprotein. In other picornavirus reactions Glu may be substituted for Gln, and Ser or Thr for Gly.
Selective cleavage of Tyr-|-Gly bond in picornavirus polyprotein.
NTP + H(2)O = NDP + phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136736 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Protease 3C Chain: A
Molecule details ›
Chain: A
Length: 182 amino acids
Theoretical weight: 20.02 KDa
Source organism: rhinovirus B14
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P03303 (Residues: 1538-1719; Coverage: 8%)
Sequence domains: 3C cysteine protease (picornain 3C)
Structure domains: Trypsin-like serine proteases
Ace-LEALFQ-ethylpropionate Chain: B
Molecule details ›
Chain: B
Length: 7 amino acids
Theoretical weight: 802 Da
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

No bound ligands
1 modified residue:
Ligand YTF 1 x YTF

Experiments and Validation Details

Entry percentile scores
Refinement method: simulated annealing molecular dynamics torsion angle dynamics RECOORD water refinement
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

2 review citations

Three-dimensional structure of foot-and-mouth disease virus and its biological functions.
Han et al. (2015)
1 more

5 mentions without citation

Rupintrivir is a promising candidate for treating severe cases of Enterovirus-71 infection.
Zhang et al. (2010)
4 more