5hxf

X-ray diffraction
1.39Å resolution

Crystal structure of 3C protease from a mild Human enterovirus 71 in complex with rupintrivir

Released:
Source organism: Enterovirus A71
Entry authors: Li B, Yuan Z, Qin L, Gu L

Function and Biology Details

Biochemical function:
Biological process:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3C protease Chain: A
Molecule details ›
Chain: A
Length: 184 amino acids
Theoretical weight: 20.29 KDa
Source organism: Enterovirus A71
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: B8YLW0 (Residues: 1-183; Coverage: 100%)
Sequence domains: 3C cysteine protease (picornain 3C)
Structure domains: Trypsin-like serine proteases

Ligands and Environments

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P21
Unit cell:
a: 36.209Å b: 64.781Å c: 38.323Å
α: 90° β: 113.06° γ: 90°
R-values:
R R work R free
0.176 0.174 0.199
Expression system: Escherichia coli BL21(DE3)