5VL5

Coordination Chemistry within a Protein Host: Regulation of the Secondary Coordination Sphere

5VL5 の概要

• エントリーDOI: 10.2210/pdb5vl5/pdb
• 関連するPDBエントリー: 5VKX 5VL8
• 分子名称: Streptavidin, [N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper, COPPER (II) ION, ... (4 entities in total)
• 機能のキーワード: streptavidin, biotin, copper, azide, secondary coordination sphere, hydrogen bond, biotin binding protein
• 由来する生物種: Streptomyces avidinii
• 細胞内の位置: Secreted: P22629
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 17266.83

構造登録者

Mann, S.I.,Heinisch, T.,Ward, T.R.,Borovik, A.S. (登録日: 2017-04-24, 公開日: 2018-04-18, 最終更新日: 2024-03-13)

主引用文献

Mann, S.I.,Heinisch, T.,Ward, T.R.,Borovik, A.S.
Coordination chemistry within a protein host: regulation of the secondary coordination sphere.
Chem. Commun. (Camb.), 54:4413-4416, 2018

PubMed Abstract: Secondary coordination spheres of metal complexes are instrumental in controlling properties that are linked to function. To study these effects in aqueous solutions artificial Cu proteins have been developed using biotin-streptavidin (Sav) technology and their binding of external azide ions investigated. Parallel binding studies were done in crystallo on single crystals of the artificial Cu proteins. Spectroscopic changes in solution are consistent with azide binding to the Cu centers. Structural studies corroborate that a Cu-N3 unit is present in each Sav subunit and reveal the composition of hydrogen bonding (H-bonding) networks that include the coordinated azido ligand. The networks involve amino acid residues and water molecules within the secondary coordination sphere. Mutation of these residues to ones that cannot form H-bonds caused a measurble change in the equilibrium binding constants that were measured in solution. These findings further demonstrate the utility of biotin-Sav technology to prepare water-stable inorganic complexes whose structures can be controlled within both primary and secondary coordination spheres.

PubMed: 29645031
DOI: 10.1039/c8cc01931b

実験手法

X-RAY DIFFRACTION (1.46 Å)