2AIT

DETERMINATION OF THE COMPLETE THREE-DIMENSIONAL STRUCTURE OF THE ALPHA-AMYLASE INHIBITOR TENDAMISTAT IN AQUEOUS SOLUTION BY NUCLEAR MAGNETIC RESONANCE AND DISTANCE GEOMETRY

2AIT の概要

• エントリーDOI: 10.2210/pdb2ait/pdb
• 分子名称: TENDAMISTAT (1 entity in total)
• 機能のキーワード: alpha-amylase inhibitor
• 由来する生物種: Streptomyces tendae
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 7967.74

構造登録者

Kline, A.D.,Braun, W.,Guntert, P.,Billeter, M.,Wuthrich, K. (登録日: 1989-05-24, 公開日: 1990-04-15, 最終更新日: 2024-10-30)

主引用文献

Kline, A.D.,Braun, W.,Wuthrich, K.
Determination of the complete three-dimensional structure of the alpha-amylase inhibitor tendamistat in aqueous solution by nuclear magnetic resonance and distance geometry.
J.Mol.Biol., 204:675-724, 1988

PubMed Abstract: The complete three-dimensional structure of the alpha-amylase inhibitor Tendamistat in aqueous solution was determined by 1H nuclear magnetic resonance and distance geometry calculations using the program DISMAN. Compared to an earlier, preliminary determination of the polypeptide backbone conformation, stereo-specific assignments were obtained for 41 of the 89 prochiral groups in the protein, and a much more extensive set of experimental constraints was collected, including 842 distance constraints from nuclear Overhauser effects and over 100 supplementary constraints from spin-spin coupling constants and the identification of intramolecular hydrogen bonds. The complete protein molecule, including the amino acid side-chains is characterized by a group of nine structures corresponding to the results of the nine DISMAN calculations with minimal residual error functions. The average of the pairwise minimal root-mean-square distances among these nine structures is 0.85 A for the polypeptide backbone, and 1.52 A for all the heavy atoms. The procedures used for the structure determination are described and a detailed analysis is presented of correlations between the experimental input data and the precision of the structure determination.

PubMed: 3265733
DOI: 10.1016/0022-2836(88)90364-6

実験手法

SOLUTION NMR