› 4ydf

X-ray diffraction
2.8Å resolution

Crystal structure of compound 9 in complex with HTLV-1 Protease

Released:
DOI: 10.2210/pdb4ydf/pdb
PDB entry 4ydf coloured by chain, front view.
PDB entry 4ydf coloured by chain, side view.
PDB entry 4ydf coloured by chain, top view.
Source organism: Human T-cell leukemia virus type I
Primary publication:
Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors.
Kuhnert M, Blum A, Steuber H, Diederich WE
J Med Chem 58 4845-50 (2015)
PMID: 26000468

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-182639 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptidase A2 domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 116 amino acids
Theoretical weight: 12.57 KDa
Source organism: Human T-cell leukemia virus type I
Expression system: Escherichia coli
UniProt:
  • Canonical: Q82134 (Residues: 1-116; Coverage: 93%)
Gene name: prt
Sequence domains: Retroviral aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

2 bound ligands:
Ligand 4B1 1 x 4B1
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P6322
Unit cell:
a: 77.35Å b: 77.35Å c: 160.05Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.244 0.242 0.297
Expression system: Escherichia coli

Quick links

Citations

11 citation in other articles

Alkenyl Arenes as Dipolarophiles in Catalytic Asymmetric 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides.
Pascual-Escudero et al. (2016)
10 more

4 mentions without citation

Regulation of Retroviral and SARS-CoV-2 Protease Dimerization and Activity through Reversible Oxidation.
Davis et al. (2022)
3 more