Conformational preferences of hypermodified nucleoside 5-taurinomethyluridine 5'-monophoshate 'p-  m(5)U' (-CH2-NH2 (+)- @entity845 - @entity845 - @entity37497 (-)) have been investigated using semi-empirical RM1 method. Automated geometry optimization using ab initio molecular orbital HF-SCF (6-31G**) and DFT (B3LYP/6-31G**) calculations have also been made to compare the salient features. The RM1 preferred most stable conformation of 'p-  m(5)U' has been stabilized by @entity3884 bonding interactions between O(11a)   HN(8), O1P(34)   HN(8), and O1P(34)   HC(10). Another conformational study of @entity68320 side chain has also been performed in context of anticodon loop bases of @entity526 tRNA(Leu). The atom O(11a) of   m(5)U(34) side chain interacts with @entity859 (A35) as well as @entity61731 backbone which might provide structural stability to the anticodon loop. The glycosyl torsion angle of   m(5)U retains 'anti'-conformation. The solvent accessible surface area calculations revealed the role of   m(5)U in tRNA(Leu) anticodon loop. @entity601 simulation results are found in agreement with RM1 preferred stable structure. The MEPs calculations of   m(5)U(34):G3 model show unique potential tunnels between the @entity3884 bond donor and acceptor atoms as compared to   m(5)U(34):A3 model. Thus, these results could pave the way to understand the role of   m(5)U(34) to recognize UUG/UUA codons at atomic level in the @entity2383 , @entity20066 .

Conformational Preferences of Modified Nucleoside XXXX ,   m(5)U Occur at 'wobble' 34th Position in the Anticodon Loop of tRNA.

@entity20066 :: ('MESH:D017241', 'Disease') :: ['MELAS'] @entity3884 :: ('MESH:D006859', 'Chemical') :: ['hydrogen'] @entity845 :: ('CHEBI:29358', 'Chemical') :: ['CH2'] @entity859 :: ('MESH:D000241', 'Chemical') :: ['adenosine'] @entity68320 :: ('MESH:C522070', 'Chemical') :: ['5-taurinomethyluridine'] @entity61731 :: ('CHEBI:26562', 'Chemical') :: ['ribose-phosphate'] @entity601 :: ('MESH:D009436', 'Disease') :: ['MD'] @entity37497 :: ('CHEBI:29384', 'Chemical') :: ['SO3'] @entity526 :: ('562', 'Species') :: ['E. coli'] @entity2383 :: ('MESH:D028361', 'Disease') :: ['mitochondrial disease']
@entity68320 :: (MESH:C522070,Chemical) :: ['5-Taurinomethyluridine']
