› 8fa0

X-ray diffraction
2.09Å resolution

Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-14208, an HIV-1 gp120 antagonist

Released:
DOI: 10.2210/pdb8fa0/pdb
PDB entry 8fa0 coloured by chain, front view.
PDB entry 8fa0 coloured by chain, side view.
PDB entry 8fa0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Antiviral Activity and Crystal Structures of HIV-1 gp120 Antagonists.
Curreli F, Kwon YD, Nicolau I, Burgos G, Altieri A, Kurkin AV, Verardi R, Kwong PD, Debnath AK
OpenAccess logo Int J Mol Sci 23 (2022)
PMID: 36555641

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-102399 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Human immunodeficiency virus 1 envelope glycoprotein Gp120 domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 353 amino acids
Theoretical weight: 39.16 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: A0A0M3KKW8 (Residues: 1-353; Coverage: 100%)
Gene name: HIV-1 Env
Sequence domains: Envelope glycoprotein GP120

Ligands and Environments

3 bound ligands:
Ligand NAG 8 x NAG
Ligand XKR 2 x XKR
Ligand EPE 1 x EPE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P212121
Unit cell:
a: 61.213Å b: 66.97Å c: 90.351Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.245 0.243 0.298
Expression system: Homo sapiens

Quick links

Citations

1 review citation

[New tracers and combinations in radioligand therapy for prostate cancer].
Tauber et al. (2023)
1 other article

1 mention without citation

Antiviral Activity and Crystal Structures of HIV-1 gp120 Antagonists.
Curreli et al. (2022)