4YEM

Carboplatin binding to HEWL in NaBr crystallisation conditions studied at an X-ray wavelength of 0.9163A - new refinement

4YEM の概要

• エントリーDOI: 10.2210/pdb4yem/pdb
• 分子名称: Lysozyme C, PLATINUM (II) ION, BROMIDE ION, ... (8 entities in total)
• 機能のキーワード: re-refinement of 4xan, carboplatin, metal binding, lysozyme, hydrolase
• 由来する生物種: Gallus gallus (Chicken)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 16468.61

構造登録者

Shabalin, I.G.,Dauter, Z.,Jaskolski, M.,Minor, W.,Wlodawer, A. (登録日: 2015-02-24, 公開日: 2015-03-04, 最終更新日: 2024-11-20)

主引用文献

Shabalin, I.,Dauter, Z.,Jaskolski, M.,Minor, W.,Wlodawer, A.
Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71:1965-1979, 2015

PubMed Abstract: The anticancer activity of platinum-containing drugs such as cisplatin and carboplatin is considered to primarily arise from their interactions with nucleic acids; nevertheless, these drugs, or the products of their hydrolysis, also bind to proteins, potentially leading to the known side effects of the treatments. Here, over 40 crystal structures deposited in the Protein Data Bank (PDB) of cisplatin and carboplatin complexes of several proteins were analysed. Significant problems of either a crystallographic or a chemical nature were found in most of the presented atomic models and they could be traced to less or more serious deficiencies in the data-collection and refinement procedures. The re-evaluation of these data and models was possible thanks to their mandatory or voluntary deposition in publicly available databases, emphasizing the point that the availability of such data is critical for making structural science reproducible. Based on this analysis of a selected group of macromolecular structures, the importance of deposition of raw diffraction data is stressed and a procedure for depositing, tracking and using re-refined crystallographic models is suggested.

PubMed: 26327386
DOI: 10.1107/S139900471500629X

実験手法

X-RAY DIFFRACTION (1.47 Å)