ProSight Native: Defining Protein Complex Composition from Native Top-Down Mass Spectrometry Data.
ProSight Native: Defining Protein Complex Composition from Native Top-Down Mass Spectrometry Data.
复制标题
ProSight Native：从原生自上而下质谱数据定义蛋白质复合物组成。
DOI：
10.1021/acs.jproteome.3c00171
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发表时间：
2023-08-04
影响因子：
4.4
通讯作者：
Kelleher, Neil L. L.
中科院分区：
文献类型：
--
作者：
Durbin, Kenneth R. R.;Robey, Matthew T. T.;Voong, Lilien N. N.;Fellers, Ryan T. T.;Lutomski, Corinne A. A.;El-Baba, Tarick J. J.;Robinson, Carol V. V.;Kelleher, Neil L. L.
关键词：
天然质谱学最近与传统的结构生物学技术并驾齐驱，能够为蛋白质复合体的组成提供清晰的见解。然而，到目前为止，可用于全面分析蛋白质复合体的天然质谱学数据的软件工具有限，特别是用于旨在阐明完整蛋白质复合体的组成的实验。在这里，我们介绍ProSight Native作为一个用于分析本地蛋白质和蛋白质复合体数据的自始至终的信息学平台。ProSight Native结合了通过光谱去卷积进行的质量测定、自上而下的数据库搜索和化学计量计算，可以确定蛋白质复合体的完整组成。为了展示它的特征，我们用ProSight Native成功地确定了同四聚体膜复合体Aquaporin Z的组成。我们还重新查看了以前发表的光谱，并能够破译与两个非共价配体结合的异二聚体复合体的组成。除了确定复杂的组成外，我们还在软件中开发了新的工具，用于验证天然质谱学碎片离子，并将自顶向下的碎片数据映射到三维蛋白质结构上。总而言之，ProSight Native将减轻不断增长的本地质谱学领域的信息学负担，使这项技术能够进一步扩大覆盖范围。
Native mass spectrometry has recently moved alongside traditional structural biology techniques in its ability to provide clear insights into the composition of protein complexes. However, to date, limited software tools are available for the comprehensive analysis of native mass spectrometry data on protein complexes, particularly for experiments aimed at elucidating the composition of an intact protein complex. Here, we introduce ProSight Native as a start-to-finish informatics platform for analyzing native protein and protein complex data. Combining mass determination via spectral deconvolution with a top-down database search and stoichiometry calculations, ProSight Native can determine the complete composition of protein complexes. To demonstrate its features, we used ProSight Native to successfully determine the composition of the homotetrameric membrane complex Aquaporin Z. We also revisited previously published spectra and were able to decipher the composition of a heterodimer complex bound with two noncovalently associated ligands. In addition to determining complex composition, we developed new tools in the software for validating native mass spectrometry fragment ions and mapping top-down fragmentation data onto three-dimensional protein structures. Taken together, ProSight Native will reduce the informatics burden on the growing field of native mass spectrometry, enabling the technology to further its reach.
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影响因子：
4.4
作者：
Bern M;Caval T;Kil YJ;Tang W;Becker C;Carlson E;Kletter D;Sen KI;Galy N;Hagemans D;Franc V;Heck AJR
通讯作者：
Heck AJR
影响因子：
64.8
作者：
Jumper J;Evans R;Pritzel A;Green T;Figurnov M;Ronneberger O;Tunyasuvunakool K;Bates R;Žídek A;Potapenko A;Bridgland A;Meyer C;Kohl SAA;Ballard AJ;Cowie A;Romera-Paredes B;Nikolov S;Jain R;Adler J;Back T;Petersen S;Reiman D;Clancy E;Zielinski M;Steinegger M;Pacholska M;Berghammer T;Bodenstein S;Silver D;Vinyals O;Senior AW;Kavukcuoglu K;Kohli P;Hassabis D
通讯作者：
Hassabis D
影响因子：
16
作者：
Choe KN;Moldovan GL
通讯作者：
Moldovan GL
影响因子：
7.4
作者：
Sipe, Sarah N.;Patrick, John W.;Brodbelt, Jennifer S.
通讯作者：
Brodbelt, Jennifer S.
影响因子：
5.8
作者：
Kou, Qiang;Xun, Likun;Liu, Xiaowen
通讯作者：
Liu, Xiaowen