ACMS: a database of alternate conformations found in the atoms of main and side chains of protein structures

Santhosh, R and Chandrasekaran, P and Michael, Daliah and Rangachari, K and Bankoti, Namrata and Jeyakanthan, J and Sekar, K (2019) ACMS: a database of alternate conformations found in the atoms of main and side chains of protein structures. In: JOURNAL OF APPLIED CRYSTALLOGRAPHY, 52 (4). pp. 910-913.

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Abstract

Proteins are usually dynamic biological macromolecules, thereby exhibiting a large number of conformational ensembles which influence the association with their neighbours and interacting partners. Most of the side-chain atoms and a few main-chain atoms of the high-resolution crystal structures deposited in the Protein Data Bank adopt alternate conformations. This kind of conformational behaviour prompted the authors to explore the relationship, if any, between the alternate conformations and the function of the protein molecule. Thus, a knowledge base of the alternate conformations of the main- and side-chain atoms of protein structures has been developed. It provides a detailed description of the alternate conformations of various residues for more than 60000 high-resolution crystal structures. The proposed knowledge base is very user friendly and has various flexible options. The knowledge base will be updated periodically and can be accessed at http://iris.physics.iisc.ac.in/acms.

Item Type:	Journal Article
Publication:	JOURNAL OF APPLIED CRYSTALLOGRAPHY
Publisher:	INT UNION CRYSTALLOGRAPHY
Additional Information:	Copyright for this article belongs to Int Union Crystallography
Keywords:	alternate conformations; protein structures; databases; atomic occupancy factors; protein conformation
Department/Centre:	Division of Interdisciplinary Sciences > Computational and Data Sciences
Date Deposited:	23 Jun 2021 11:03
Last Modified:	23 Jun 2021 11:03
URI:	http://eprints.iisc.ac.in/id/eprint/63397

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