The stability of 3 transmembrane and 4 transmembrane human vitamin K epoxide reductase models

TL;DR

This study compares the stability of 3 and 4 transmembrane models of human vitamin K epoxide reductase using computational simulations, finding the 3 transmembrane model to be more stable.

Contribution

It introduces a comparative analysis of transmembrane models of VKOR, highlighting the more stable 3 transmembrane structure through simulation methods.

Findings

3 transmembrane VKOR model is more stable than 4 transmembrane model

Normal mode analysis and molecular dynamics used for stability assessment

Provides insights into the structural stability of VKOR models

Abstract

3 transmembrane and 4 transmembrane helices models are suggested for the human vitamin K epoxide reductase (VKOR). In this study, we investigate the stability of the human 3 transmembrane/4 transmembrane VKOR models employing a coarse-grained normal mode analysis and molecular dynamics simulation. Based on the analysis of the mobility of each transmembrane domain, we suggest that the 3 transmembrane human VKOR model is more stable than the 4 transmembrane human VKOR model.