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Default Solution conformations of proline rings in proteins studied by NMR spectroscopy.

Solution conformations of proline rings in proteins studied by NMR spectroscopy.

Related Articles Solution conformations of proline rings in proteins studied by NMR spectroscopy.

J Biomol NMR. 1995 Sep;6(2):123-8

Authors: Cai M, Huang Y, Liu J, Krishnamoorthi R

Three different conformations of proline rings in a protein in solution, Up, Down and Twist, have been distinguished, and stereospecific assignments of the pyrrolidine beta-, gamma- and delta-hydrogens have been made on the basis of 1H-1H vicinal coupling constant patterns and intraresidue NOEs. For all three conformations, interhydrogen distances in the pairs alpha-beta 3, beta 3-gamma 3, beta 2-gamma 2, gamma 2-delta 2, and gamma 3-delta 3 (2.3 A) are shorter than those in the pairs alpha-beta 2, beta 2-gamma 3, beta 3-gamma 2, gamma 2-delta 3, and gamma 3-delta 2 (2.7-3.0 A), resulting in stronger NOESY cross peaks. For the Up conformation, the beta 3-gamma 2 and gamma 2-delta 3 spin-spin coupling constants are small (< 3 Hz), and weak cross peaks are obtained in a short-mixing-time (10 ms) TOCSY spectrum; all other vicinal coupling constants are in the range 5-12 Hz, and result in medium to strong TOCSY cross peaks. For the Down form, the alpha-beta 2, beta 2-gamma 3, and gamma 3-delta 2 vicinal coupling constants are small, leading to weak TOCSY cross peaks; all other couplings again are in the range 5-12 Hz, and result in medium to strong TOCSY cross peaks. In the case of a Twist conformation, dynamically averaged coupling constants are anticipated. The procedure has been applied to bovine pancreatic trypsin inhibitor and Cucurbita maxima trypsin inhibitor-V, and ring conformations of all prolines in the two proteins have been determined.

PMID: 8589600 [PubMed - indexed for MEDLINE]



Source: PubMed
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