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PMID: 15452431 Published · ppublish English Journal Article Research Support, Non-U.S. Gov't

Mars -- robust automatic backbone assignment of proteins.

Journal of biomolecular NMR ·Vol. 30 ·No. 1 ·2004-09-00 ·Pages 11-23

Jung YS, Zweckstetter M

Abstract

MARS a program for robust automatic backbone assignment of (13)C/(15)N labeled proteins is presented. MARS does not require tight thresholds for establishing sequential connectivity or detailed adjustment of these thresholds and it can work with a wide variety of NMR experiments. Using only (13)C(alpha)/(13)C(beta) connectivity information, MARS allows automatic, error-free assignment of 96% of the 370-residue maltose-binding protein. MARS can successfully be used when data are missing for a substantial portion of residues or for proteins with very high chemical shift degeneracy such as partially or fully unfolded proteins. Other sources of information, such as residue specific information or known assignments from a homologues protein, can be included into the assignment process. MARS exports its result in SPARKY format. This allows visual validation and integration of automated and manual assignment.

MeSH Terms
Algorithms Amino Acid Sequence Carbon Isotopes Genomics Maltose/metabolism Nitrogen Isotopes Nuclear Magnetic Resonance, Biomolecular Protein Conformation Proteins/chemistry Software
Chemicals
Carbon Isotopes Nitrogen Isotopes Proteins Maltose
Authors & Affiliations
2 authors, click to expand affiliations / ORCID
Jung Young-Sang
Max Planck Institute for Biophysical Chemistry, Am Fassberg 11, D-37077 Göttingen, Germany.
Zweckstetter Markus
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Article Info
Journal
Journal of biomolecular NMR
Abbr.
J Biomol NMR
ISSN
0925-2738
DOI
10.1023/B:JNMR.0000042954.99056.ad
Published
2004-09-00
Pages
11-23
Language
English
Region
Netherlands
NLM ID
9110829
Subset
IM
External Links
PubMed source DOI: 10.1023/B:JNMR.0000042954.99056.ad View journal details
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