Three-dimensional dimer structure of the λ-Cro repressor in solution as determined by heteronuclear multidimensional NMR

Hiroshi Matsuo, Masahiro Shirakawa, Yoshimasa Kyogoku

Research output: Contribution to journalArticlepeer-review

32 Scopus citations


The 1H, 15N and 13C magnetic resonances of the λ-Cro repressor have been assigned almost completely, mainly through the use of heteronuclear multidimensional NMR methods. Inter-subunit NOEs were distinguished by means of heteronuclear spectral editing technique (13C double half filter technique). Based on the distance and dihedral angle constraints derived from the NMR data, the three-dimensional solution structure of the λ-Cro repressor in the dimeric form has been calculated by the simulated annealing method. The input for the structure calculations consisted of 1H-1H distance constraints, of which 1536 were intra-subunit and 40 were inter-subunit, and dihedral angle, φ, constraints, which numbered 92. The average root-mean-square deviation (RMSD) for all backbone heavy- atoms of the 20 calculated structures for residues 3 to 59 of the total of 66 amino acid residues in both subunits was 1.57 Å, while the average RMSD for each subunit in the same residue range was 0.66 Å. The subunit is composed of three α-helices, residues 7 to 13, 16 to 23 and 27 to 36, and a three-stranded anti-parallel β-sheet composed of residues 3 to 6, 40 to 44 and 50 to 55. The solution structure of the subunit is essentially the same as that in the crystalline form, but the structure of the dimer form in solution differs from that of the dimer unit in the crystalline form. It is suggested that the solution dimer structure is distorted to fit the recognition helices in the major grooves of DNA on complex formation.

Original languageEnglish (US)
Pages (from-to)668-680
Number of pages13
JournalJournal of Molecular Biology
Issue number4
StatePublished - Dec 8 1995
Externally publishedYes

Bibliographical note

Funding Information:
We thank Professor B. W. Matthews, University of Oregon, for giving us the coordinates of the crystal structure of l-Cro. This work was supported by Grants-in-Aid for Scientific Research on Priority Areas (04254103) and for Specially Promoted Research (05101004) from the Ministry of Education, Science and Culture of Japan.


  • Dimer structure
  • Multidimensional NMR
  • Signal assignment
  • Solution structure
  • λ-Cro repressor


Dive into the research topics of 'Three-dimensional dimer structure of the λ-Cro repressor in solution as determined by heteronuclear multidimensional NMR'. Together they form a unique fingerprint.

Cite this