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Computer modelling studies of ribonuclease A-pyrimidine nucleotide complexes

Seshadri, K and Balaji, PV and Rao, VS and Vishveshwara, S (1993) Computer modelling studies of ribonuclease A-pyrimidine nucleotide complexes. In: Journal of Biomolecular Structure & Dynamics, 11 (2). pp. 395-415.

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Different modes of binding of pyrimidine monophosphates 2'-UMP, 3'-UMP, 2'-CMP and 3'-CMP to ribonuclease (RNase) A are studied by energy minimization in torsion angle and subsequently in Cartesian coordinate space. The results are analysed in the light of primary binding sites. The hydrogen bonding pattern brings out roles for amino acids such as Asn44 and Ser123 apart from the well known active site residues viz., His12,Lys41,Thr45 and His119. Amino acid segments 43-45 and 119-121 seem to be guiding the ligand binding by forming a pocket. Many of the active site charged residues display considerable movement upon nucleotide binding.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Adenine Press.
Department/Centre: Division of Biological Sciences > Molecular Biophysics Unit
Depositing User: Ms TV Yashodha
Date Deposited: 03 Feb 2011 05:22
Last Modified: 03 Feb 2011 05:22
URI: http://eprints.iisc.ac.in/id/eprint/35372

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