› 5j47

X-ray diffraction
1.99Å resolution

The X-ray structure of Inhibitor Bound to JCV Helicase

Released:
DOI: 10.2210/pdb5j47/pdb
Model geometry
Fit model/data
PDB entry 5j47 coloured by chain, front view.
PDB entry 5j47 coloured by chain, side view.
PDB entry 5j47 coloured by chain, top view.
Source organism: JC polyomavirus
Primary publication:
Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
Bonafoux D, Nanthakumar S, Bandarage UK, Memmott C, Lowe D, Aronov AM, Bhisetti GR, Bonanno KC, Coll J, Leeman J, Lepre CA, Lu F, Perola E, Rijnbrand R, Taylor WP, Wilson D, Zhou Y, Zwahlen J, Ter Haar E
J Med Chem 59 7138-51 (2016)
PMID: 27385654

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136545 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Large T antigen Chain: A
Molecule details ›
Chain: A
Length: 372 amino acids
Theoretical weight: 42.39 KDa
Source organism: JC polyomavirus
Expression system: Escherichia coli
UniProt:
  • Canonical: P03072 (Residues: 261-628; Coverage: 54%)
Sequence domains: Polyomavirus large T antigen C-terminus
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand ZN 1 x ZN
Ligand MES 1 x MES
Ligand 6JJ 1 x 6JJ
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P6
Unit cell:
a: 110.71Å b: 110.71Å c: 67.75Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.185 0.183 0.221
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Advances in BK Virus Complications in Organ Transplantation and Beyond.
Cohen-Bucay et al. (2020)
1 more