1D7H

FKBP COMPLEXED WITH DMSO

1D7H の概要

• エントリーDOI: 10.2210/pdb1d7h/pdb
• 関連するPDBエントリー: 1D6O 1D7H 1D7I 1D7J
• 分子名称: PROTEIN (FK506-BINDING PROTEIN), AMMONIUM ION, SULFATE ION, ... (5 entities in total)
• 機能のキーワード: isomerase, immunophilin, dmso, fkbp
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm, cytosol : P62942
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 24057.48

構造登録者

Burkhard, P.,Taylor, P.,Walkinshaw, M.D. (登録日: 1999-10-18, 公開日: 1999-10-21, 最終更新日: 2024-02-07)

主引用文献

Burkhard, P.,Taylor, P.,Walkinshaw, M.D.
X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies.
J.Mol.Biol., 295:953-962, 2000

PubMed Abstract: 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.

PubMed: 10656803
DOI: 10.1006/jmbi.1999.3411

実験手法

X-RAY DIFFRACTION (1.9 Å)