› 3odi

X-ray diffraction
2.2Å resolution

Crystal structure of cyclophilin A in complex with Voclosporin E-ISA247

Released:
DOI: 10.2210/pdb3odi/pdb
PDB entry 3odi coloured by chain, front view.
PDB entry 3odi coloured by chain, side view.
PDB entry 3odi coloured by chain, top view.
Source organisms:
Primary publication:
Structural basis for the cyclophilin A binding affinity and immunosuppressive potency of E-ISA247 (voclosporin).
Kuglstatter A, Mueller F, Kusznir E, Gsell B, Stihle M, Thoma R, Benz J, Aspeslet L, Freitag D, Hennig M
OpenAccess logo Acta Crystallogr D Biol Crystallogr 67 119-23 (2011)
PMID: 21245533

Function and Biology Details

Reaction catalysed: 
Peptidylproline (omega=180) = peptidylproline (omega=0)
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158792 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Peptidyl-prolyl cis-trans isomerase A Chains: A, C, E, G, I, K, M, O, Q, S
Molecule details ›
Chains: A, C, E, G, I, K, M, O, Q, S
Length: 165 amino acids
Theoretical weight: 18.04 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
Voclosporin Chains: B, D, F, H, J, L, N, P, R, T
Molecule details ›
Chains: B, D, F, H, J, L, N, P, R, T
Length: 11 amino acids
Theoretical weight: 1.23 KDa
Source organism: Tolypocladium inflatum
Expression system: Not provided

Ligands and Environments

No bound ligands
5 modified residues:
Ligand DAL 10 x DAL
Ligand MLE 40 x MLE
Ligand MVA 10 x MVA
Ligand ABA 10 x ABA
Ligand SAR 10 x SAR

Experiments and Validation Details

Entry percentile scores
X-ray source: OTHER
Spacegroup: P21
Unit cell:
a: 69.179Å b: 161.341Å c: 93.654Å
α: 90° β: 100.06° γ: 90°
R-values:
R R work R free
0.166 0.164 0.22
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

11 review citations

Current state of renal transplant immunosuppression: Present and future.
Kalluri et al. (2012)
10 more

1 mention without citation

Structural basis for the cyclophilin A binding affinity and immunosuppressive potency of E-ISA247 (voclosporin).
Kuglstatter et al. (2011)