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PMID: 1841711 Published · ppublish English Comparative Study Journal Article Research Support, Non-U.S. Gov't

Improved efficiency of protein structure calculations from NMR data using the program DIANA with redundant dihedral angle constraints.

Journal of biomolecular NMR ·Vol. 1 ·No. 4 ·1991-11-00 ·Pages 447-56

Güntert P, Wüthrich K

Abstract

A new strategy for NMR structure calculations of proteins with the variable target function method (Braun, W. and Go, N. (1985) J. Mol. Biol., 186, 611) is described, which makes use of redundant dihedral angle constraints (REDAC) derived from preliminary calculations of the complete structure. The REDAC approach reduces the computation time for obtaining a group of acceptable conformers with the program DIANA 5-100-fold, depending on the complexity of the protein structure, and retains good sampling of conformation space.

MeSH Terms
Amino Acid Sequence Antennapedia Homeodomain Protein Carboxypeptidase B Carboxypeptidases/chemistry DNA-Binding Proteins/chemistry Enzyme Precursors/chemistry Homeodomain Proteins Magnetic Resonance Spectroscopy/methods Nuclear Proteins/chemistry Protein Conformation Proteins/chemistry Software Transcription Factors Trypsin Inhibitor, Kazal Pancreatic/chemistry
Chemicals
Antennapedia Homeodomain Protein DNA-Binding Proteins Enzyme Precursors Homeodomain Proteins Nuclear Proteins Proteins Transcription Factors Trypsin Inhibitor, Kazal Pancreatic Carboxypeptidases Carboxypeptidase B
Authors & Affiliations
2 authors, click to expand affiliations / ORCID
Güntert P
Institut für Molekularbiologie und Biophysik, Eidgenössische Technische Hochschule-Hönggerberg, Zürich, Switzerland.
Wüthrich K
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Article Info
Journal
Journal of biomolecular NMR
Abbr.
J Biomol NMR
ISSN
0925-2738
DOI
10.1007/BF02192866
Published
1991-11-00
Pages
447-56
Language
English
Region
Netherlands
NLM ID
9110829
Subset
IM
External Links
PubMed source DOI: 10.1007/BF02192866 View journal details
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