DNA tension-modulated translocation and loop extrusion by SMC complexes revealed by molecular dynamics simulations.

ABSTRACT: Structural Maintenance of Chromosomes (SMC) complexes play essential roles in genome organization across all domains of life. To determine how the activities of these large (≈50 nm) complexes are controlled by ATP binding and hydrolysis, we developed a molecular dynamics model that accounts for conformational motions of the SMC and DNA. The model combines DNA loop capture with an ATP-induced 'power stroke' to translocate the SMC complex along DNA. This process is sensitive to DNA tension: at low tension (0.1 pN), the model makes loop-capture steps of average 60 nm and up to 200 nm along DNA (larger than the complex itself), while at higher tension, a distinct inchworm-like translocation mode appears. By tethering DNA to an experimentally-observed additional binding site ('safety belt'), th

SUBMITTER: Nomidis SK 

PROVIDER: S-EPMC9122525 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature