› 3qzq

X-ray diffraction
1.7Å resolution

Human enterovirus 71 3C protease mutant E71D in complex with rupintrivir

Released:
DOI: 10.2210/pdb3qzq/pdb
PDB entry 3qzq coloured by chain, front view.
PDB entry 3qzq coloured by chain, side view.
PDB entry 3qzq coloured by chain, top view.
Source organism: Enterovirus A71
Primary publication:
Crystal structures of enterovirus 71 3C protease complexed with rupintrivir reveal the roles of catalytically important residues.
Wang J, Fan T, Yao X, Wu Z, Guo L, Lei X, Wang J, Wang M, Jin Q, Cui S
J Virol 85 10021-30 (2011)
PMID: 21813612

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-123062 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3C protein Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 187 amino acids
Theoretical weight: 20.59 KDa
Source organism: Enterovirus A71
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: E7E815 (Residues: 1-183; Coverage: 100%)
Sequence domains: 3C cysteine protease (picornain 3C)
Structure domains: Trypsin-like serine proteases

Ligands and Environments

1 bound ligand:
Ligand AG7 4 x AG7
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P41212
Unit cell:
a: 142.443Å b: 142.443Å c: 69.564Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.21 0.198 0.254
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

10 review citations

Antiviral drug discovery for the treatment of enterovirus 71 infections.
Shang et al. (2013)
9 more

3 mentions without citation

Crystal structures of enterovirus 71 3C protease complexed with rupintrivir reveal the roles of catalytically important residues.
Wang et al. (2011)
2 more