Crosslinking combined with mass spectrometry for structural proteomics.

The method of crosslinking combined with mass spectrometry is being gradually accepted as a technology enabling detailed structural information on proteins and protein complexes. Intrinsic challenges of the method, which have prevented its widespread use, are being progressively addressed by improvements in mass spectrometry instrumentation capabilities, by the development of new crosslinking reagents, and by the development of specialized software tools for processing of mass spectrometric crosslinking data. This review focuses on recent literature concerning the development of specialized crosslinking reagents and approaches for mass spectrometry-based applications. Critical features of crosslinking reagents for optimum mass spectrometric performance, such as isotopic coding, cleavability, affinity groups, structure of the linkers, and reactive groups, are assessed. Requirements for the design of crosslinking reagents to make them well suited for mass spectrometric detection and analysis are summarized.

[1]  R. Zenobi,et al.  Chemical cross-linking with NHS esters: a systematic study on amino acid reactivities. , 2009, Journal of mass spectrometry : JMS.

[2]  Malin M. Young,et al.  A Top-Down Approach to Protein Structure Studies Using Chemical Cross-Linking and Fourier Transform Mass Spectrometry , 2003, European journal of mass spectrometry.

[3]  Feng Ding,et al.  Fidelity of the protein structure reconstruction from inter-residue proximity constraints. , 2007, The journal of physical chemistry. B.

[4]  Birgit Schilling,et al.  MS2Assign, automated assignment and nomenclature of tandem mass spectra of chemically crosslinked peptides , 2003, Journal of the American Society for Mass Spectrometry.

[5]  C. D. de Koster,et al.  Selective enrichment of azide-containing peptides from complex mixtures. , 2009, Journal of proteome research.

[6]  M. Steinmetz,et al.  Isotope-tagged cross-linking reagents. A new tool in mass spectrometric protein interaction analysis. , 2001, Analytical chemistry.

[7]  J. Bruce,et al.  Collisionally activated dissociation and electron capture dissociation of several mass spectrometry-identifiable chemical cross-linkers. , 2006, Analytical chemistry.

[8]  G. Anderson,et al.  Identification of Protein-Protein Interactions and Topologies in Living Cells with Chemical Cross-linking and Mass Spectrometry*S , 2009, Molecular & Cellular Proteomics.

[9]  Malin M. Young,et al.  High throughput protein fold identification by using experimental constraints derived from intramolecular cross-links and mass spectrometry , 2000, Proc. Natl. Acad. Sci. USA.

[10]  G Marius Clore,et al.  A simple and reliable approach to docking protein–protein complexes from very sparse NOE-derived intermolecular distance restraints , 2006, Journal of biomolecular NMR.

[11]  Christoph H Borchers,et al.  BiPS, a Photocleavable, Isotopically Coded, Fluorescent Cross-linker for Structural Proteomics * , 2009, Molecular & Cellular Proteomics.

[12]  R. Guy,et al.  A novel protein crosslinking reagent for the determination of moderate resolution protein structures by mass spectrometry (MS3-D). , 2004, Bioorganic & medicinal chemistry letters.

[13]  Jason Lanman,et al.  Synthesis of biotin-tagged chemical cross-linkers and their applications for mass spectrometry. , 2009, Rapid communications in mass spectrometry : RCM.

[14]  J. Cavanagh,et al.  Tandem mass spectrometry acquisition approaches to enhance identification of protein-protein interactions using low-energy collision-induced dissociative chemical crosslinking reagents. , 2007, Rapid communications in mass spectrometry : RCM.

[15]  James E Bruce,et al.  Mass spectrometry identifiable cross-linking strategy for studying protein-protein interactions. , 2005, Analytical chemistry.

[16]  Young Jin Lee Mass spectrometric analysis of cross-linking sites for the structure of proteins and protein complexes. , 2008 .

[17]  Juri Rappsilber,et al.  Structural Analysis of Multiprotein Complexes by Cross-linking, Mass Spectrometry, and Database Searching*S , 2007, Molecular & Cellular Proteomics.

[18]  T. Sixma,et al.  Identification of cross-linked peptides for protein interaction studies using mass spectrometry and 18O labeling. , 2002, Analytical chemistry.

[19]  S. Nakagawa,et al.  Studies on heterobifunctional cross-linking reagents, 6-maleimidohexanoic acid active esters. , 2007, Chemical & pharmaceutical bulletin.

[20]  David Fenyö,et al.  A modular cross-linking approach for exploring protein interactions. , 2002, Journal of the American Chemical Society.

[21]  C. D. de Koster,et al.  An Aptly Positioned Azido Group in the Spacer of a Protein Cross‐Linker for Facile Mapping of Lysines in Close Proximity , 2007, Chembiochem : a European journal of chemical biology.

[22]  R. Annan,et al.  N-terminal isotope tagging strategy for quantitative proteomics: results-driven analysis of protein abundance changes. , 2004, Analytical chemistry.

[23]  Andrea Sinz,et al.  Chemical cross-linking and mass spectrometry to map three-dimensional protein structures and protein-protein interactions. , 2006, Mass spectrometry reviews.

[24]  Christoph H. Borchers,et al.  ICC-CLASS: isotopically-coded cleavable crosslinking analysis software suite , 2009, BMC Bioinformatics.

[25]  L. Jong,et al.  A new crosslinker for mass spectrometric analysis of the quaternary structure of protein complexes , 2001, Journal of the American Society for Mass Spectrometry.

[26]  V. Anderson,et al.  Protein cross-links: universal isolation and characterization by isotopic derivatization and electrospray ionization mass spectrometry. , 1999, Analytical biochemistry.

[27]  Martin Kussmann,et al.  Chemical cross‐linking with thiol‐cleavable reagents combined with differential mass spectrometric peptide mapping—A novel approach to assess intermolecular protein contacts , 2000, Protein science : a publication of the Protein Society.

[28]  A. Sinz,et al.  Chances and pitfalls of chemical cross-linking with amine-reactive N-hydroxysuccinimide esters , 2008, Analytical and bioanalytical chemistry.

[29]  Karl Mechtler,et al.  An innovative method to study target protein-drug interactions by mass spectrometry. , 2009, Journal of medicinal chemistry.

[30]  G. Kruppa,et al.  Strategy for selective chemical cross-linking of tyrosine and lysine residues , 2004, Journal of the American Society for Mass Spectrometry.

[31]  Nathan E Hall,et al.  Characterization of an Antagonist Interleukin-6 Dimer by Stable Isotope Labeling, Cross-linking, and Mass Spectrometry* , 2002, The Journal of Biological Chemistry.

[32]  Christoph H Borchers,et al.  Isotopically Coded Cleavable Cross-linker for Studying Protein-Protein Interaction and Protein Complexes* , 2005, Molecular & Cellular Proteomics.

[33]  Ruedi Aebersold,et al.  Identification of cross-linked peptides from large sequence databases , 2008, Nature Methods.

[34]  Lars Malmström,et al.  Automated prediction of CASP‐5 structures using the Robetta server , 2003, Proteins.

[35]  E. Soderblom,et al.  Collision-induced dissociative chemical cross-linking reagents and methodology: Applications to protein structural characterization using tandem mass spectrometry analysis. , 2006, Analytical chemistry.

[36]  Yali Lu,et al.  Ionic reagent for controlling the gas-phase fragmentation reactions of cross-linked peptides. , 2008, Analytical chemistry.

[37]  Alma L Burlingame,et al.  Isotope-coded and affinity-tagged cross-linking (ICATXL): an efficient strategy to probe protein interaction surfaces. , 2006, Journal of the American Chemical Society.

[38]  Ning Zhang,et al.  Protein cross-linking analysis using mass spectrometry, isotope-coded cross-linkers, and integrated computational data processing. , 2006, Journal of proteome research.

[39]  C. Ihling,et al.  Mapping protein interfaces by a trifunctional cross-linker combined with MALDI-TOF and ESI-FTICR mass spectrometry , 2005, Journal of the American Society for Mass Spectrometry.

[40]  S. Kennel,et al.  Mass spectrometric detection of affinity purified crosslinked presented , 2004 .

[41]  Richard D. Smith,et al.  A simple procedure for effective quenching of trypsin activity and prevention of 18O-labeling back-exchange. , 2009, Journal of proteome research.

[42]  Ruedi Aebersold,et al.  Corrigendum: Identification of cross-linked peptides from large sequence databases , 2008 .

[43]  R. Guy,et al.  Isotopically labeled crosslinking reagents: resolution of mass degeneracy in the identification of crosslinked peptides. , 2003, Bioorganic & medicinal chemistry letters.

[44]  Feng Ding,et al.  iFold: a platform for interactive folding simulations of proteins , 2006, Bioinform..

[45]  Malin M. Young,et al.  Partial acetylation of lysine residues improves intraprotein cross-linking. , 2008, Analytical chemistry.

[46]  Chris G de Koster,et al.  Chemical cross-linking and mass spectrometry for protein structural modeling. , 2003, Journal of molecular biology.

[47]  J. Brodbelt,et al.  Chromogenic cross-linker for the characterization of protein structure by infrared multiphoton dissociation mass spectrometry. , 2008, Analytical chemistry.

[48]  D. Fabris,et al.  Nested Arg-specific bifunctional crosslinkers for MS-based structural analysis of proteins and protein assemblies. , 2008, Analytica chimica acta.

[49]  Malin M. Young,et al.  Unambiguous assignment of intramolecular chemical cross-links in modified mammalian membrane proteins by Fourier transform-tandem mass spectrometry. , 2005, Analytical chemistry.