› 5ea5

X-ray diffraction
3.05Å resolution

Crystal Structure of Inhibitor TMC-353121 in Complex with Prefusion RSV F Glycoprotein

Released:
DOI: 10.2210/pdb5ea5/pdb
PDB entry 5ea5 coloured by chain, front view.
PDB entry 5ea5 coloured by chain, side view.
PDB entry 5ea5 coloured by chain, top view.
Source organism: Human respiratory syncytial virus A2
Primary publication:
Molecular mechanism of respiratory syncytial virus fusion inhibitors.
Battles MB, Langedijk JP, Furmanova-Hollenstein P, Chaiwatpongsakorn S, Costello HM, Kwanten L, Vranckx L, Vink P, Jaensch S, Jonckers TH, Koul A, Arnoult E, Peeples ME, Roymans D, McLellan JS
Nat Chem Biol 12 87-93 (2016)
PMID: 26641933

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136982 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Fusion glycoprotein F0 Chain: F
Molecule details ›
Chain: F
Length: 568 amino acids
Theoretical weight: 63.22 KDa
Source organism: Human respiratory syncytial virus A2
Expression system: Homo sapiens
UniProt:
  • Canonical: P03420 (Residues: 1-513; Coverage: 89%)
Gene name: F
Sequence domains: Fusion glycoprotein F0

Ligands and Environments

4 bound ligands:
Ligand NHE 1 x NHE
Ligand TM3 1 x TM3
Ligand SO4 1 x SO4
Ligand TAR 1 x TAR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P4132
Unit cell:
a: 169.86Å b: 169.86Å c: 169.86Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.216 0.214 0.248
Expression system: Homo sapiens

Quick links

Citations

21 review citations

Respiratory syncytial virus entry and how to block it.
Battles et al. (2019)
20 more

5 mentions without citation

Molecular mechanism of respiratory syncytial virus fusion inhibitors.
Battles et al. (2016)
4 more