› 1tco

X-ray diffraction
2.5Å resolution

TERNARY COMPLEX OF A CALCINEURIN A FRAGMENT, CALCINEURIN B, FKBP12 AND THE IMMUNOSUPPRESSANT DRUG FK506 (TACROLIMUS)

Released:
DOI: 10.2210/pdb1tco/pdb
PDB entry 1tco coloured by chain, front view.
PDB entry 1tco coloured by chain, side view.
PDB entry 1tco coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
X-ray structure of calcineurin inhibited by the immunophilin-immunosuppressant FKBP12-FK506 complex.
Griffith JP, Kim JL, Kim EE, Sintchak MD, Thomson JA, Fitzgibbon MJ, Fleming MA, Caron PR, Hsiao K, Navia MA
Cell 82 507-22 (1995)
PMID: 7543369

Function and Biology Details

Reactions catalysed: 
[a protein]-serine/threonine phosphate + H(2)O = [a protein]-serine/threonine + phosphate
Peptidylproline (omega=180) = peptidylproline (omega=0)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
PDBe Complex ID:
PDB-CPX-148314 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Protein phosphatase 3 catalytic subunit alpha Chain: A
Molecule details ›
Chain: A
Length: 375 amino acids
Theoretical weight: 43.01 KDa
Source organism: Bos taurus
Expression system: Escherichia coli
UniProt:
  • Canonical: P48452 (Residues: 18-392; Coverage: 72%)
Gene name: PPP3CA
Sequence domains: Calcineurin-like phosphoesterase
Structure domains: Purple Acid Phosphatase; chain A, domain 2
Calcineurin subunit B type 1 Chain: B
Molecule details ›
Chain: B
Length: 169 amino acids
Theoretical weight: 19.19 KDa
Source organism: Bos taurus
Expression system: Escherichia coli
UniProt:
  • Canonical: P63099 (Residues: 2-170; Coverage: 99%)
Gene names: CNA2, CNB, PPP3R1
Sequence domains: EF-hand domain pair
Structure domains: EF-hand
Peptidyl-prolyl cis-trans isomerase FKBP1A Chain: C
Molecule details ›
Chain: C
Length: 107 amino acids
Theoretical weight: 11.75 KDa
Source organism: Bos taurus
Expression system: Escherichia coli
UniProt:
  • Canonical: P18203 (Residues: 2-108; Coverage: 99%)
Gene names: FKBP1, FKBP1A
Sequence domains: FKBP-type peptidyl-prolyl cis-trans isomerase
Structure domains: Chitinase A; domain 3

Ligands and Environments

6 bound ligands:
Ligand ZN 1 x ZN
Ligand FE 1 x FE
Ligand PO4 1 x PO4
Ligand CA 4 x CA
Ligand MYR 1 x MYR
Ligand FK5 1 x FK5
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P212121
Unit cell:
a: 90.05Å b: 94.43Å c: 116.76Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.195 0.195 0.282
Expression system: Escherichia coli

Quick links

Citations

112 review citations

NFAT signaling: choreographing the social lives of cells.
Crabtree et al. (2002)
111 more

32 mentions without citation

Bacterial signal transduction network in a genomic perspective.
Galperin MY. (2004)
31 more