caa a22 4500 445325747 CHVBK 20180317142719.0 cr unu---uuuuu 170323e20110701xx s 000 0 eng 10.1007/s10858-011-9518-0 doi (NATIONALLICENCE)springer-10.1007/s10858-011-9518-0 AUTOBA: Automation of backbone assignment from HN(C)N suite of experiments [Elektronische Daten] [Aditi Borkar, Dinesh Kumar, Ramakrishna Hosur] Development of efficient strategies and automation represent important milestones of progress in rapid structure determination efforts in proteomics research. In this context, we present here an efficient algorithm named as AUTOBA (Automatic Backbone Assignment) designed to automate the assignment protocol based on HN(C)N suite of experiments. Depending upon the spectral dispersion, the user can record 2D or 3D versions of the experiments for assignment. The algorithm uses as inputs: (i) protein primary sequence and (ii) peak-lists from user defined HN(C)N suite of experiments. In the end, one gets HN, 15N, Cα and C′ assignments (in common BMRB format) for the individual residues along the polypeptide chain. The success of the algorithm has been demonstrated, not only with experimental spectra recorded on two small globular proteins: ubiquitin (76 aa) and M-crystallin (85 aa), but also with simulated spectra of 27 other proteins using assignment data from the BMRB. Springer Science+Business Media B.V., 2011 Structural proteomics nationallicence HN(C)N nationallicence Backbone assignment nationallicence Start points nationallicence Checkpoints nationallicence Automated assignment nationallicence AUTOBA nationallicence NMR : Nuclear magnetic resonance nationallicence HSQC : Heteronuclear single quantum correlation nationallicence BMRB : Biological magnetic resonance data bank nationallicence CARA : Computer aided resonance assigment (a software for NMR data analysis) nationallicence AUTOBA : Automatic backbone assignment nationallicence Borkar Aditi Department of Chemical Sciences, Tata Institute of Fundamental Research (TIFR), 1, Homi Bhabha Road, Colaba, 400005, Mumbai, India aut Kumar Dinesh Department of Chemical Sciences, Tata Institute of Fundamental Research (TIFR), 1, Homi Bhabha Road, Colaba, 400005, Mumbai, India aut Hosur Ramakrishna Department of Chemical Sciences, Tata Institute of Fundamental Research (TIFR), 1, Homi Bhabha Road, Colaba, 400005, Mumbai, India aut Journal of Biomolecular NMR Springer Netherlands 50/3(2011-07-01), 285-297 0925-2738 50:3<285 2011 50 10858 https://doi.org/10.1007/s10858-011-9518-0 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10858-011-9518-0 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Borkar Aditi Department of Chemical Sciences, Tata Institute of Fundamental Research (TIFR), 1, Homi Bhabha Road, Colaba, 400005, Mumbai, India aut NATIONALLICENCE 700 1- Kumar Dinesh Department of Chemical Sciences, Tata Institute of Fundamental Research (TIFR), 1, Homi Bhabha Road, Colaba, 400005, Mumbai, India aut NATIONALLICENCE 700 1- Hosur Ramakrishna Department of Chemical Sciences, Tata Institute of Fundamental Research (TIFR), 1, Homi Bhabha Road, Colaba, 400005, Mumbai, India aut NATIONALLICENCE 773 0- Journal of Biomolecular NMR Springer Netherlands 50/3(2011-07-01), 285-297 0925-2738 50:3<285 2011 50 10858 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer