1CCN

DIRECT NOE REFINEMENT OF CRAMBIN FROM 2D NMR DATA USING A SLOW-COOLING ANNEALING PROTOCOL

1CCN の概要

• エントリーDOI: 10.2210/pdb1ccn/pdb
• 分子名称: CRAMBIN (1 entity in total)
• 機能のキーワード: plant seed protein
• 由来する生物種: Crambe hispanica subsp. abyssinica
• 細胞内の位置: Secreted: P01542
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 4738.45

構造登録者

Bonvin, A.M.J.J.,Rullmann, J.A.C.,Lamerichs, R.M.J.N.,Boelens, R.,Kaptein, R. (登録日: 1993-04-14, 公開日: 1993-10-31, 最終更新日: 2024-11-06)

主引用文献

Bonvin, A.M.J.J.,Boelens, R.,Kaptein, R.
Direct NOE refinement of biomolecular structures using 2D NMR data
J.Biomol.NMR, 1:305-309, 1991

PubMed Abstract: A set of computer programs called DINOSAUR has been developed, which allows the refinement of biomolecular structures directly from 2D NOE intensities. The NOE restraining potential implemented emphasises the weak intensities corresponding to larger distances which are more likely to determine the three-dimensional structure. An approximation based on a two-spin approximation is proposed for the gradient of the NOE intensities instead of the exact solution which is extremely time-consuming. The DINOSAUR routines have been implemented in various refinement programs (Distance bound Driven Dynamics, Molecular Dynamics and Energy Minimisation) and tested on an eight-residue model peptide.

PubMed: 1841701
DOI: 10.1007/BF01875523

実験手法

SOLUTION NMR