› 2x2c

X-ray diffraction
2.41Å resolution

acetyl-CypA:cyclosporine complex

Released:
DOI: 10.2210/pdb2x2c/pdb
PDB entry 2x2c coloured by chain, front view.
PDB entry 2x2c coloured by chain, side view.
PDB entry 2x2c coloured by chain, top view.
Source organisms:
Primary publication:
Acetylation regulates cyclophilin A catalysis, immunosuppression and HIV isomerization.
Lammers M, Neumann H, Chin JW, James LC
Nat Chem Biol 6 331-7 (2010)
PMID: 20364129

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 icosamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158802 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
CYCLOSPORIN A Chains: B, F, L, P, R
Molecule details ›
Chains: B, F, L, P, R
Length: 11 amino acids
Theoretical weight: 1.22 KDa
Source organism: Tolypocladium inflatum
Expression system: Not provided
Peptidyl-prolyl cis-trans isomerase A Chains: K, M, O, Q, S
Molecule details ›
Chains: K, M, O, Q, S
Length: 165 amino acids
Theoretical weight: 18.08 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P62937 (Residues: 1-165; Coverage: 100%)
Gene names: CYPA, PPIA
Sequence domains: Cyclophilin type peptidyl-prolyl cis-trans isomerase/CLD
Structure domains: Cyclophilin-like

Ligands and Environments

No bound ligands
7 modified residues:
Ligand DAL 5 x DAL
Ligand MLE 20 x MLE
Ligand MVA 5 x MVA
Ligand BMT 5 x BMT
Ligand ABA 5 x ABA
Ligand SAR 5 x SAR
Ligand ALY 5 x ALY

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF
Spacegroup: P6122
Unit cell:
a: 107.429Å b: 107.429Å c: 428.871Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.209 0.206 0.264
Expression systems:
  • Not provided
  • Escherichia coli

Quick links

Citations

26 review citations

The growing landscape of lysine acetylation links metabolism and cell signalling.
Choudhary et al. (2014)
25 more

5 mentions without citation

Current Challenges and Opportunities in Designing Protein-Protein Interaction Targeted Drugs.
Shin et al. (2020)
4 more