› 1d7h

X-ray diffraction
1.9Å resolution

FKBP COMPLEXED WITH DMSO

Released:
DOI: 10.2210/pdb1d7h/pdb
PDB entry 1d7h coloured by chain, front view.
PDB entry 1d7h coloured by chain, side view.
PDB entry 1d7h coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies.
Burkhard P, Taylor P, Walkinshaw MD
J Mol Biol 295 953-62 (2000)
PMID: 10656803

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-158812 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptidyl-prolyl cis-trans isomerase FKBP1A Chains: A, B
Molecule details ›
Chains: A, B
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

3 bound ligands:
Ligand NH4 2 x NH4
Ligand SO4 2 x SO4
Ligand DMS 2 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ENRAF-NONIUS FR571
Spacegroup: C2
Unit cell:
a: 102.8Å b: 36.45Å c: 56Å
α: 90° β: 96° γ: 90°
R-values:
R R work R free
0.213 0.213 0.273
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Neuroimmunophilin ligands: evaluation of their therapeutic potential for the treatment of neurological disorders.
Gold BG. (2000)
3 more

4 mentions without citation

The free energy landscape of small molecule unbinding.
Huang et al. (2011)
3 more