Arginine: II. Interactions of Its Salt Bridges with Branched Aliphatic Side Chains.

ABSTRACT: Previous analyses of the structures deposited in the PDB revealed that arginine (Arg) side chains are often in close contact with leucine (Leu) side chains. In the previous paper, we studied interactions between Leu and Arg side chains alone [Ng et al. https://doi.org/10.1021/acs.jpcb.5c02168]. In this work, we have focused on the interactions between Leu side chains and salt bridges formed between Arg and acidic side chains. We inspected the trimer structures of the three side chains: Leu, Arg, and an acidic residue in the high-resolution files in the PDB. We also performed optimization of the model trimers with the ωB97X-D density functional and aug-cc-pVTZ basis set. We found that the salt bridges in a relatively low-polarity environment are most likely in a dynamic equilibrium between

SUBMITTER: Ng CM 

PROVIDER: S-EPMC12302201 | biostudies-literature | 2025 Jul

REPOSITORIES: biostudies-literature