2K61

Solution structure of CaM complexed to DAPk peptide

2K61 の概要

• エントリーDOI: 10.2210/pdb2k61/pdb
• NMR情報: BMRB: 7423,7424,7425,15852
• 分子名称: Calmodulin, CALCIUM ION, TERBIUM(III) ION (3 entities in total)
• 機能のキーワード: calmodulin, dapk peptide, methylation, phosphoprotein, metal binding protein
• 由来する生物種: Homo sapiens (man)
• 細胞内の位置: Cytoplasm, cytoskeleton, spindle : P62158
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 17001.49

構造登録者

Bertini, I.,Luchinat, C.,Parigi, G.,Yuan, J. (登録日: 2008-07-02, 公開日: 2009-05-05, 最終更新日: 2024-05-08)

主引用文献

Bertini, I.,Kursula, P.,Luchinat, C.,Parigi, G.,Vahokoski, J.,Wilmanns, M.,Yuan, J.
Accurate solution structures of proteins from X-ray data and a minimal set of NMR data: calmodulin-peptide complexes as examples.
J.Am.Chem.Soc., 131:5134-5144, 2009

PubMed Abstract: A strategy for the accurate determination of protein solution structures starting from X-ray data and a minimal set of NMR data is proposed and successfully applied to two complexes of calmodulin (CaM) with target peptides not previously described. Its implementation in the present case is based on the use of lanthanide ions as substitutes for calcium in one of the four calcium binding sites of CaM and the collection of pseudocontact shift (pcs) and residual dipolar coupling (rdc) restraints induced by the paramagnetic metals. Starting from the crystal structures, new structural models are calculated that are in excellent agreement with the paramagnetic restraints and differ significantly from the starting crystal structures. In particular, in both complexes, a change in orientation of the first helix of the N-terminal CaM domain and of the whole C-terminal domain is observed. The simultaneous use of paramagnetic pcs and rdc restraints has the following crucial advantages: (i) it allows one to assess the possible presence of interdomain conformational freedom, which cannot be detected if the rdc values are derived from external orienting media; (ii) in the absence of significant conformational freedom, the global orientation tensor can be independently and precisely determined from pcs values, which are less sensitive than rdc values to the presence of local structural inaccuracies, and therefore (iii) the relative rearrangement of a domain or a secondary structure element with respect to the metal-bearing domain can be detected.

PubMed: 19317469
DOI: 10.1021/ja8080764

実験手法

SOLUTION NMR