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A docking interaction study of the effect of critical mutations in ribonuclease A on protein-ligand binding

Publication ,  Journal Article
Mukherjee, S; De, S; Ghosh, Z; Dasgupta, S
Published in: Biochemistry and Molecular Biology Education
September 1, 2005

Enzymes with ribonucleolytic activity play a pivotal role in gene expression and cellular homeostasis by altering the levels of cellular RNA. Ribonuclease A has been the most well studied of such enzymes whose histidine residues (His12 and His119) play a crucial role in the catalytic mechanism of the protein. The ligands chosen for this study, 2′CMP and 3′CMP, act as competitive substrate analog inhibitors of this enzyme. Using molecular graphics software freely available for academic use, AutoDock and PyMoI, we demonstrate that substitution of either histidine residue by alanine causes marked changes in the distances between these critical residues of the enzyme. The ligands in the docked conformation (particularly on mutation of His119 to Ala) compensate for the altered free energy and hydrogen bonding abilities in these new protein-ligand complexes. © 2005 by The International Union of Biochemistry and Molecular Biology.

Duke Scholars

Published In

Biochemistry and Molecular Biology Education

DOI

ISSN

1470-8175

Publication Date

September 1, 2005

Volume

33

Issue

5

Start / End Page

335 / 343

Related Subject Headings

  • Education
  • 3101 Biochemistry and cell biology
  • 1302 Curriculum and Pedagogy
  • 0601 Biochemistry and Cell Biology
 

Citation

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Mukherjee, S., De, S., Ghosh, Z., & Dasgupta, S. (2005). A docking interaction study of the effect of critical mutations in ribonuclease A on protein-ligand binding. Biochemistry and Molecular Biology Education, 33(5), 335–343. https://doi.org/10.1002/bmb.2005.49403305335
Mukherjee, S., S. De, Z. Ghosh, and S. Dasgupta. “A docking interaction study of the effect of critical mutations in ribonuclease A on protein-ligand binding.” Biochemistry and Molecular Biology Education 33, no. 5 (September 1, 2005): 335–43. https://doi.org/10.1002/bmb.2005.49403305335.
Mukherjee S, De S, Ghosh Z, Dasgupta S. A docking interaction study of the effect of critical mutations in ribonuclease A on protein-ligand binding. Biochemistry and Molecular Biology Education. 2005 Sep 1;33(5):335–43.
Mukherjee, S., et al. “A docking interaction study of the effect of critical mutations in ribonuclease A on protein-ligand binding.” Biochemistry and Molecular Biology Education, vol. 33, no. 5, Sept. 2005, pp. 335–43. Scopus, doi:10.1002/bmb.2005.49403305335.
Mukherjee S, De S, Ghosh Z, Dasgupta S. A docking interaction study of the effect of critical mutations in ribonuclease A on protein-ligand binding. Biochemistry and Molecular Biology Education. 2005 Sep 1;33(5):335–343.
Journal cover image

Published In

Biochemistry and Molecular Biology Education

DOI

ISSN

1470-8175

Publication Date

September 1, 2005

Volume

33

Issue

5

Start / End Page

335 / 343

Related Subject Headings

  • Education
  • 3101 Biochemistry and cell biology
  • 1302 Curriculum and Pedagogy
  • 0601 Biochemistry and Cell Biology