› 3kpe

X-ray diffraction
1.47Å resolution

Solution structure of the respiratory syncytial virus (RSV)six-helix bundle complexed with TMC353121, a small-moleucule inhibitor of RSV

Released:
DOI: 10.2210/pdb3kpe/pdb
PDB entry 3kpe coloured by chain, front view.
PDB entry 3kpe coloured by chain, side view.
PDB entry 3kpe coloured by chain, top view.
Source organism: Human respiratory syncytial virus A2
Primary publication:
Binding of a potent small-molecule inhibitor of six-helix bundle formation requires interactions with both heptad-repeats of the RSV fusion protein.
Roymans D, De Bondt HL, Arnoult E, Geluykens P, Gevers T, Van Ginderen M, Verheyen N, Kim H, Willebrords R, Bonfanti JF, Bruinzeel W, Cummings MD, van Vlijmen H, Andries K
Proc Natl Acad Sci U S A 107 308-13 (2010)
PMID: 19966279

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136983 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Fusion glycoprotein F1 Chain: A
Molecule details ›
Chain: A
Length: 51 amino acids
Theoretical weight: 5.54 KDa
Source organism: Human respiratory syncytial virus A2
UniProt:
  • Canonical: P03420 (Residues: 159-209; Coverage: 9%)
Gene name: F
Structure domains: Single alpha-helices involved in coiled-coils or other helix-helix interfaces
Fusion glycoprotein F1 Chain: B
Molecule details ›
Chain: B
Length: 39 amino acids
Theoretical weight: 4.37 KDa
Source organism: Human respiratory syncytial virus A2
UniProt:
  • Canonical: P03420 (Residues: 482-520; Coverage: 7%)
Gene name: F

Ligands and Environments

2 bound ligands:
Ligand TM3 1 x TM3
Ligand PG4 1 x PG4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P213
Unit cell:
a: 63.248Å b: 63.248Å c: 63.248Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.163 0.196

Quick links

Citations

17 review citations

Progress in understanding and controlling respiratory syncytial virus: still crazy after all these years.
Collins et al. (2011)
16 more

5 mentions without citation

Small-Molecule Inhibition of Viral Fusion Glycoproteins.
Liu et al. (2021)
4 more