› 3egs

X-ray diffraction
3.6Å resolution

Crystal structure of the HIV-1 broadly neutralizing antibody 2F5 in complex with the gp41 scrambledFP-MPER scrHyb3K construct GIGAFGLLGFLAAGSKK-Ahx-K656NEQELLELDKWASLWN671 soaked in ammonium sulfate

Released:
DOI: 10.2210/pdb3egs/pdb
PDB entry 3egs coloured by chain, front view.
PDB entry 3egs coloured by chain, side view.
PDB entry 3egs coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural constraints imposed by the conserved fusion peptide on the HIV-1 gp41 epitope recognized by the broadly neutralizing antibody 2F5.
de la Arada I, Julien JP, de la Torre BG, Huarte N, Andreu D, Pai EF, Arrondo JL, Nieva JL
J Phys Chem B 113 13626-37 (2009)
PMID: 19754136

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
PDBe Complex ID:
PDB-CPX-211621 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
2F5 Fab' light chain Chain: A
Molecule details ›
Chain: A
Length: 214 amino acids
Theoretical weight: 23.36 KDa
Source organism: Homo sapiens
Structure domains: Immunoglobulins
2F5 Fab' heavy chain Chain: B
Molecule details ›
Chain: B
Length: 235 amino acids
Theoretical weight: 24.99 KDa
Source organism: Homo sapiens
Structure domains: Immunoglobulins
gp41 scrFP-MPER construct Chain: C
Molecule details ›
Chain: C
Length: 35 amino acids
Theoretical weight: 3.82 KDa

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 63.8Å b: 75.9Å c: 93.5Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.235 0.235 0.249

Quick links

Citations

10 citation in other articles

Relationship between antibody 2F5 neutralization of HIV-1 and hydrophobicity of its heavy chain third complementarity-determining region.
Ofek et al. (2010)
9 more

1 mention without citation

Computer-Aided Approaches for Targeting HIVgp41.
Allen et al. (2012)