2JOO

The NMR Solution Structure of Recombinant RGD-hirudin

2JOO の概要

• エントリーDOI: 10.2210/pdb2joo/pdb
• NMR情報: BMRB: 15405
• 分子名称: Hirudin variant-1 (1 entity in total)
• 機能のキーワード: mainly beta, blood clotting
• 由来する生物種: Hirudo medicinalis (medicinal leech)
• 細胞内の位置: Secreted: P01050
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 7042.59

構造登録者

Song, X.,Mo, W.,Liu, X.,Yan, X.,Song, H.,Dai, L. (登録日: 2007-03-14, 公開日: 2008-03-18, 最終更新日: 2024-11-20)

主引用文献

Song, X.,Mo, W.,Liu, X.,Zhu, L.,Yan, X.,Song, H.,Dai, L.
The NMR solution structure of recombinant RGD-hirudin
Biochem.Biophys.Res.Commun., 360:103-108, 2007

PubMed Abstract: The solution structure of a new recombinant RGD-hirudin, which has the activities of anti-thrombin and anti-platelet aggregation, was determined by (1)H nuclear magnetic resonance spectroscopy and compared with the conformations of recombinant wild-type hirudin and hirudin (variant 2, Lys47) of the hirudin thrombin complex. On the basis of total 1284 distance and dihedral angle constraints derived from a series of NMR spectra, 20 conformers were computed with ARIA/CNS programs. The structure of residues 3-30 and 37-48 form a molecular core with two antiparallel beta-sheets as the other two hirudins. However, significant differences were found in the surface electrostatic charge distributions among the three hirudins, especially in the RGD segment of recombinant RGD-hirudin. This difference may be greatly beneficial to its additional function of anti-platelet aggregation. The difference in extended C-terminal makes its both ionic and hydrophobic interactions with the fibrinogen recognition exosite of thrombin more effective.

PubMed: 17585879
DOI: 10.1016/j.bbrc.2007.06.014

実験手法

SOLUTION NMR