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Structural investigation of helices II, III, and IV of B. megaterium 5S ribosomal RNA by molecular dynamics calculations
Author(s) -
Kim Jong Hwa,
Marshall Alan G.
Publication year - 1992
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/bip.360320915
Subject(s) - helix (gastropod) , chemistry , molecular dynamics , crystallography , base pair , 5s ribosomal rna , loop (graph theory) , ribosomal rna , stereochemistry , rna , dna , ribosome , computational chemistry , biochemistry , biology , ecology , mathematics , combinatorics , snail , gene
The structures of the helices II‐III region and the helix IV region of B. megaterium 5S rRNA have been examined by means of energy minimization and molecular dynamics calculations. Calculated distances between neighboring hydrogen‐bonded imino protons in helices II, III, and IV were between 3.5 and 4.5 Å. The overall axis for the helices II‐III region is warped rather than straight. Formation of additional Watson‐Crick base pairs in loop B and loop C was not evident from the atomic positions calculated by molecular dynamics. Bases in loop C are well stacked, showing no significant change during dynamics. Bulge migration in helix III does not seem to be possible; the helices II‐III region prefers one conformation. Helix II is more stable than helix III. Five base pairs in helix IV were sufficiently stable to establish that helix IV is terminated by a hairpin loop of three nucleotides. U 87 protrudes from loop D. Structures of the helices II‐III segment and the helix IV segment of B. megaterium 5S rRNA obtained by molecular dynamics were generally consistent with the solution structure inferred from high‐field proton nmr spectroscopy. © 1992 John Wiley & Sons, Inc.