Function inferences from a molecular structural model of bacterial ParE toxin


Autoria(s): Barbosa, Luiz Carlos Bertucci; Garrido, Saulo Santesso; Garcia, Anderson; Delfino, Davi Barbosa; Marchetto, Reinaldo
Contribuinte(s)

Universidade Estadual Paulista (UNESP)

Data(s)

15/05/2015

15/05/2015

2010

Resumo

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Toxin-antitoxin (TA) systems contribute to plasmid stability by a mechanism that relies on the differential stabilities of the toxin and antitoxin proteins and leads to the killing of daughter bacteria that did not receive a plasmid copy at the cell division. ParE is the toxic component of a TA system that constitutes along with RelE an important class of bacterial toxin called RelE/ParE superfamily. For ParE toxin, no crystallographic structure is available so far and rare in vitro studies demonstrated that the target of toxin activity is E. coli DNA gyrase. Here, a 3D Model for E. coli ParE toxin by molecular homology modeling was built using MODELLER, a program for comparative modeling. The Model was energy minimized by CHARMM and validated using PROCHECK and VERIFY3D programs. Resulting Ramachandran plot analysis it was found that the portion residues failing into the most favored and allowed regions was 96.8%. Structural similarity search employing DALI server showed as the best matches RelE and YoeB families. The Model also showed similarities with other microbial ribonucleases but in a small score. A possible homologous deep cleft active site was identified in the Model using CASTp program. Additional studies to investigate the nuclease activity in members of ParE family as well as to confirm the inhibitory replication activity are needed. The predicted Model allows initial inferences about the unexplored 3D structure of the ParE toxin and may be further used in rational design of molecules for structure­function studies.

Formato

438-440

Identificador

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2951705/

Bioinformation, v. 4, n. 10, p. 438-440, 2010.

0973-2063

http://hdl.handle.net/11449/123448

ISSN0973-2063-2010-4-10-438-440.pdf

4153093880581874

3572731191643273

0613179867992921

5711182251641103

Idioma(s)

eng

Relação

Bioinformation

Direitos

openAccess

Palavras-Chave #ParE toxin #TA systems #RelE/ParE superfamily #Homology modeling
Tipo

info:eu-repo/semantics/article