5d9q

X-ray diffraction
4.4Å resolution

Crystal Structure of the BG505 SOSIP gp140 HIV-1 Env trimer in Complex with the Broadly Neutralizing Fab PGT122 and scFv NIH45-46

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero pentadecamer (preferred)
PDBe Complex ID:
PDB-CPX-230351 (preferred)
Entry contents:
5 distinct polypeptide molecules
Macromolecules (11 distinct):
Envelope glycoprotein gp160 Chains: A, G, J
Molecule details ›
Chains: A, G, J
Length: 472 amino acids
Theoretical weight: 52.86 KDa
Source organism: Human immunodeficiency virus 1
Expression system: Homo sapiens
UniProt:
  • Canonical: Q2N0S6 (Residues: 30-501; Coverage: 55%)
Gene name: env
Sequence domains: Envelope glycoprotein GP120
Transmembrane protein gp41 Chains: B, C, K
Molecule details ›
Chains: B, C, K
Length: 152 amino acids
Theoretical weight: 17.03 KDa
Source organism: Human immunodeficiency virus 1
Expression system: Homo sapiens
UniProt:
  • Canonical: Q2N0S6 (Residues: 509-660; Coverage: 18%)
Gene name: env
Sequence domains: Retroviral envelope protein
PGT122 light chain,Ig lambda-3 chain C regions Chains: E, L, M
Molecule details ›
Chains: E, L, M
Length: 211 amino acids
Theoretical weight: 22.71 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
Ig-like domain-containing protein Chains: F, H, N
Molecule details ›
Chains: F, H, N
Length: 235 amino acids
Theoretical weight: 25.45 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: S6B291 (Residues: 20-117, 118-123, 124-239; Coverage: 49%)
Sequence domains:
NIH45-46 single chain Fv Chains: D, I, O
Molecule details ›
Chains: D, I, O
Length: 241 amino acids
Theoretical weight: 26.3 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer : NEW Components: NAG, BMA, MAN
1 bound ligand:
1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: C2
Unit cell:
a: 153.76Å b: 254.35Å c: 283.55Å
α: 90° β: 100.96° γ: 90°
R-values:
R R work R free
0.29 0.29 0.32
Expression system: Homo sapiens