› 5hsv

X-ray diffraction
1.5Å resolution

X-Ray structure of a CypA-Alisporivir complex at 1.5 angstrom resolution

Released:
DOI: 10.2210/pdb5hsv/pdb
PDB entry 5hsv coloured by chain, front view.
PDB entry 5hsv coloured by chain, side view.
PDB entry 5hsv coloured by chain, top view.
Source organisms:
Primary publication:
X-ray structure of alisporivir in complex with cyclophilin A at 1.5 Å resolution.
Dujardin M, Bouckaert J, Rucktooa P, Hanoulle X
Acta Crystallogr F Struct Biol Commun 74 583-592 (2018)
PMID: 30198892

Function and Biology Details

Reaction catalysed: 
Peptidylproline (omega=180) = peptidylproline (omega=0)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158808 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Peptidyl-prolyl cis-trans isomerase A Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 168 amino acids
Theoretical weight: 18.32 KDa
Source organism: Chlorocebus aethiops
Expression system: Escherichia coli
UniProt:
  • Canonical: P62938 (Residues: 1-165; Coverage: 100%)
Gene names: CYPA, PPIA
Sequence domains: Cyclophilin type peptidyl-prolyl cis-trans isomerase/CLD
Structure domains: Cyclophilin-like
Alisporivir Chains: E, F, G, H
Molecule details ›
Chains: E, F, G, H
Length: 11 amino acids
Theoretical weight: 1.23 KDa
Source organism: Tolypocladium inflatum
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand CL 4 x CL
5 modified residues:
Ligand BMT 4 x BMT
Ligand ABA 4 x ABA
Ligand MLE 12 x MLE
Ligand DAL 4 x DAL
Ligand MVA 4 x MVA

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P1
Unit cell:
a: 37.904Å b: 68.443Å c: 71.952Å
α: 115.12° β: 103.17° γ: 93.96°
R-values:
R R work R free
0.167 0.166 0.19
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

1 review citation

Non-Immunosuppressive Cyclophilin Inhibitors.
Schiene-Fischer et al. (2022)

3 mentions without citation

Medicinal chemistry strategies toward host targeting antiviral agents.
Ji et al. (2020)
2 more