Data from: Biochemical, structural and dynamical characterizations of the lactate dehydrogenase from Selenomonas ruminantium provide information about an intermediate evolutionary step prior to complete allosteric regulation acquisition in the super family of lactate and malate dehydrogenases.
- 1. Univ. Grenoble Alpes, CEA, CNRS, IBS, 38000 Grenoble, France.
- 2. CNRS, Université de Paris, UPR 9080, Laboratoire de Biochimie Théorique, Paris, France; Institut de Biologie Physico-Chimique-Fondation Edmond de Rothschild, PSL Research University, Paris, France.
Description
This data accompanies the paper entitled Biochemical, structural and dynamical characterizations of the lactate dehydrogenase from Selenomonas ruminantium provide information about an intermediate evolutionary step prior to complete allosteric regulation acquisition in the super family of lactate and malate dehydrogenases.
The zip archive contains the results of molecular dynamics simulations of the 2 systems investigated in the paper: S. rum and T. mar LDHs. The systems have been simulated at 315 K for S. rum and 340 K for T. mar. Final configurations of the proteins after productions are provided for all the systems in GRO Gromos87 format. Trajectories with the positions of the proteins every 100 ps are provided for all the systems in XTC gromacs format.
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MD_data.zip
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Additional details
Funding
- DYNAMO – Dynamique des membranes transductrices d'énergie : biogénèse et organisation supramoléculaire. ANR-11-LABX-0011
- Agence Nationale de la Recherche
- AlloSpace – The emergence of allostery: a multi-technique exploration of allosteric space at atomic resolution ANR-21-CE44-0034
- Agence Nationale de la Recherche
- CACSICE – Centre d'analyse de systèmes complexes dans les environnements complexes ANR-11-EQPX-0008
- Agence Nationale de la Recherche