› 7b4w

X-ray diffraction
1.9Å resolution

Broadly neutralizing DARPin bnD.3 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505)

Released:
DOI: 10.2210/pdb7b4w/pdb
Model geometry
Fit model/data
PDB entry 7b4w coloured by chain, front view.
PDB entry 7b4w coloured by chain, side view.
PDB entry 7b4w coloured by chain, top view.
Source organism: synthetic construct
Primary publication:
Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Friedrich N, Stiegeler E, Glögl M, Lemmin T, Hansen S, Kadelka C, Wu Y, Ernst P, Maliqi L, Foulkes C, Morin M, Eroglu M, Liechti T, Ivan B, Reinberg T, Schaefer JV, Karakus U, Ursprung S, Mann A, Rusert P, Kouyos RD, Robinson JA, Günthard HF, Plückthun A, Trkola A
OpenAccess logo Nat Commun 12 6705 (2021)
PMID: 34795280

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-168035 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Broadly neutralizing DARPin bnD.3 Chains: A, C
Molecule details ›
Chains: A, C
Length: 161 amino acids
Theoretical weight: 17.11 KDa
Source organism: synthetic construct
Expression system: Escherichia coli
HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505) Chains: B, D
Molecule details ›
Chains: B, D
Length: 15 amino acids
Theoretical weight: 1.6 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

4 bound ligands:
Ligand CA 2 x CA
Ligand EDO 1 x EDO
Ligand NA 2 x NA
Ligand ACT 1 x ACT
1 modified residue:
Ligand DPR 2 x DPR

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P212121
Unit cell:
a: 50.4Å b: 67.06Å c: 93.11Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.183 0.181 0.227
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

3 review citations

Designed Ankyrin Repeat Proteins: A New Class of Viral Entry Inhibitors.
Walser et al. (2022)
2 more

1 mention without citation

Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Friedrich et al. (2021)