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Quaternary Structure Buildt from Subunuts Combining NMR and Small-Angle X-Ray Scattering Data

Mattinen, M-L; Pääkkönen, K; Ikonen, T; Craven, J; Drakenberg, Torbjörn LU ; Serimaa, R; Waltho, J and Annila, A (2002) In Biophysical Journal 83(2). p.1177-1183
Abstract
A new principle in constructing molecular complexes from the known high-resolution domain structures joining data from NMR and small-angle x-ray scattering (SAXS) measurements is described. Structure of calmodulin in complex with trifluoperazine was built from N- and C-terminal domains oriented based on residual dipolar couplings measured by NMR in a dilute liquid crystal, and the overall shape of the complex was derived from SAXS data. The residual dipolar coupling data serves to reduce angular degrees of freedom, and the small-angle scattering data serves to confine the translational degrees of freedom. The complex built by this method was found to be consistent with the known crystal structure. The study demonstrates how approximate... (More)
A new principle in constructing molecular complexes from the known high-resolution domain structures joining data from NMR and small-angle x-ray scattering (SAXS) measurements is described. Structure of calmodulin in complex with trifluoperazine was built from N- and C-terminal domains oriented based on residual dipolar couplings measured by NMR in a dilute liquid crystal, and the overall shape of the complex was derived from SAXS data. The residual dipolar coupling data serves to reduce angular degrees of freedom, and the small-angle scattering data serves to confine the translational degrees of freedom. The complex built by this method was found to be consistent with the known crystal structure. The study demonstrates how approximate tertiary structures of modular proteins or quaternary structures composed of subunits can be assembled from high-resolution structures of domains or subunits using mutually complementary NMR and SAXS data. (Less)
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organization
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type
Contribution to journal
publication status
published
subject
in
Biophysical Journal
volume
83
issue
2
pages
1177 - 1183
publisher
Cell Press
external identifiers
  • scopus:0035997077
ISSN
1542-0086
language
English
LU publication?
yes
id
a0ba5511-18cc-4259-a7e0-8acf5ad0a380 (old id 128069)
alternative location
http://www.biophysj.org/cgi/content/abstract/83/2/1177
date added to LUP
2007-06-29 13:37:21
date last changed
2017-01-01 04:30:21
@article{a0ba5511-18cc-4259-a7e0-8acf5ad0a380,
  abstract     = {A new principle in constructing molecular complexes from the known high-resolution domain structures joining data from NMR and small-angle x-ray scattering (SAXS) measurements is described. Structure of calmodulin in complex with trifluoperazine was built from N- and C-terminal domains oriented based on residual dipolar couplings measured by NMR in a dilute liquid crystal, and the overall shape of the complex was derived from SAXS data. The residual dipolar coupling data serves to reduce angular degrees of freedom, and the small-angle scattering data serves to confine the translational degrees of freedom. The complex built by this method was found to be consistent with the known crystal structure. The study demonstrates how approximate tertiary structures of modular proteins or quaternary structures composed of subunits can be assembled from high-resolution structures of domains or subunits using mutually complementary NMR and SAXS data.},
  author       = {Mattinen, M-L and Pääkkönen, K and Ikonen, T and Craven, J and Drakenberg, Torbjörn and Serimaa, R and Waltho, J and Annila, A},
  issn         = {1542-0086},
  language     = {eng},
  number       = {2},
  pages        = {1177--1183},
  publisher    = {Cell Press},
  series       = {Biophysical Journal},
  title        = {Quaternary Structure Buildt from Subunuts Combining NMR and Small-Angle X-Ray Scattering Data},
  volume       = {83},
  year         = {2002},
}