Molecular dynamics simulations shed light into the donor substrate specificity of vertebrate poly-alpha-2,8-sialyltransferases ST8Sia IV

• Published in: Biochimica et biophysica acta. General subjects Vol. 1868; no. 8; p. 130647
• Main Authors: Teppa, Roxana Elin, Galuska, Sebastian Peter, Harduin-Lepers, Anne
• Format: Journal Article
• Language: English
• Published: Netherlands Elsevier B.V 01.08.2024; Elsevier
• Series: Biochimica et Biophysica Acta (BBA) - General Subjects
• Subjects: Animals; Catalytic Domain; Chemical Sciences; Coregonus; fish; glycoconjugates; glycosyltransferases; Humans; Life Sciences; Modeling; Molecular dynamics; Molecular Dynamics Simulation; or physical chemistry; Polysialyltransferases; sialic acid; Sialic Acids - chemistry; Sialic Acids - metabolism; Sialyltransferases; Sialyltransferases - chemistry; Sialyltransferases - metabolism; Structure; Substrate Specificity; Sugar donor; Theoretical and; Neu5Ac; RMSF; Molecular dynamics; RMSD; Neu5Gc; Modeling; STs; Kdn; Sialyltransferases; Sugar donor; Rg; Substrate specificity; MD; Polysialyltransferases; Structure

Sialic acids are essential monosaccharides influencing several biological processes and disease states. The sialyltransferases catalyze the transfer of Sia residues to glycoconjugates playing critical roles in cellular recognition and signaling. Despite their importance, the molecular mechanisms und...