1d7h
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FKBP COMPLEXED WITH DMSO
OverviewOverview
A new crystal form of native FK506 binding protein (FKBP) has been, obtained which has proved useful in ligand binding studies. Three, different small molecule ligand complexes and the native enzyme have been, determined at higher resolution than 2.0 A. Dissociation constants of the, related small molecule ligands vary from 20 mM for dimethylsulphoxide to, 200 microM for tetrahydrothiophene 1-oxide. Comparison of the four, available crystal structures shows that the protein structures are, identical to within experimental error, but there are differences in the, water structure in the active site. Analysis of the calculated buried, surface areas of these related ligands provides an estimated van der Waals, contribution to the binding energy of -0.5 kJ/A(2) for non-polar, interactions between ligand and protein.
About this StructureAbout this Structure
1D7H is a Single protein structure of sequence from Homo sapiens with NH4, SO4 and DMS as ligands. Active as Peptidylprolyl isomerase, with EC number 5.2.1.8 Full crystallographic information is available from OCA.
ReferenceReference
X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies., Burkhard P, Taylor P, Walkinshaw MD, J Mol Biol. 2000 Jan 28;295(4):953-62. PMID:10656803
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