› 4dh0

X-ray diffraction
2.1Å resolution

X-ray Crystal Structure of 28-O-Methylrapamycin complexed with FKBP12: Is the Cyclohexyl Moiety Part of the Effector Domain of Rapamycin?

Released:
DOI: 10.2210/pdb4dh0/pdb
PDB entry 4dh0 coloured by chain, front view.
PDB entry 4dh0 coloured by chain, side view.
PDB entry 4dh0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
X-ray Crystal Structure of 28-O-Methylrapamycin complexed with FKBP12: Is the Cyclohexyl Moiety Part of the Effector Domain of Rapamycin?
Kallen J, Sedrani R, Cottens S
J. Am. Chem. Soc. 118 5857-5861 (1996)

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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158812 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptidyl-prolyl cis-trans isomerase FKBP1A Chain: A
Molecule details ›
Chain: A
Length: 107 amino acids
Theoretical weight: 11.84 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P62942 (Residues: 2-108; Coverage: 99%)
Gene names: FKBP1, FKBP12, FKBP1A
Sequence domains: FKBP-type peptidyl-prolyl cis-trans isomerase
Structure domains: Chitinase A; domain 3

Ligands and Environments

1 bound ligand:
Ligand MR8 1 x MR8
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ENRAF-NONIUS FR571
Spacegroup: P212121
Unit cell:
a: 45.5Å b: 49.7Å c: 55.3Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.219 0.217 0.257
Expression system: Escherichia coli

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