DMCA
Energy Strain in Three-Dimensional Protein Structures (1998)
| Citations: | 7 - 0 self |
BibTeX
@MISC{Maiorov98energystrain,
author = {Vladimir Maiorov and Ruben Abagyan},
title = {Energy Strain in Three-Dimensional Protein Structures},
year = {1998}
}
Share
 |
 |
 |
 |
||
OpenURL
Abstract
Introduction Identification of strain in protein three-dimensional structures has many important implications for both experimental structure determination and theoretical modeling and design. The term `steric strain' usually describes unfavorable or disallowed conformations or structural abnormalities of the amino acid residues that are detected by analysis of f/y maps, van der Waals clashes, etc. High-resolution X-ray crystal structures from the PDB [1] were analyzed [2,3] and it was shown that some parts of the polypeptide chain manifest higher strain, as a result of packing or functional requirements. An alternative and the most likely source of strain is the error in the coordinates of a structure, ranging from misplaced sidechains and flipped peptide groups to wrong chain tracing [4--6]. Similarly, the dynamic nature of a biopolymer in solution and the ambiguities in peak assignments may result in errors in the structures solved by NMR. Exam
Keyphrases
energy strain three-dimensional protein structure van der waals clash theoretical modeling likely source steric strain amino acid residue high-resolution x-ray crystal structure introduction identification peak assignment many important implication polypeptide chain functional requirement protein three-dimensional structure disallowed conformation structural abnormality experimental structure determination dynamic nature
