PSST-2.0

Ananthalakshmi, P.; Samayamohan, Krishnan; Chokalingam, Chellapandi; Mayilarasi, Chandran; Sekar, K.

doi:10.2165/00822942-200504020-00008

Cited by 4 publications

(1 citation statement)

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“…In X-ray crystallographic experiments, and thus in many of the three-dimensional structures deposited in the PDB, the loops and ends of the polypeptide chains and certain residues in the middle portion of the chain are not observed owing to poor electron density (Sumathi et al, 2006;Saravanan et al, 2010;Djinovic Carugo & Carugo, 2015;Gurusaran et al, 2016). Thus, these regions will not be available in the atomic coordinates file submitted to the PDB and they are referred to as 'missing regions' (Ananthalakshmi, Kumar et al, 2005;Ananthalakshmi, Samayamohan et al, 2005;Nagarajan et al, 2012;Santhosh et al, 2019). Depending on the location of the missing regions in a polypeptide chain, they can be classified into three categories: 'N-terminal' at the beginning of the polypeptide chain, 'C-terminal' at the end of the polypeptide chain, and 'Middle' anywhere between N-terminal and C-terminal.…”

Section: Introductionmentioning

confidence: 99%

MRPC (Missing Regions in Polypeptide Chains): a knowledgebase

et al. 2019

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Missing regions in protein crystal structures are those regions that cannot be resolved, mainly owing to poor electron density (if the three‐dimensional structure was solved using X‐ray crystallography). These missing regions are known to have high B factors and could represent loops with a possibility of being part of an active site of the protein molecule. Thus, they are likely to provide valuable information and play a crucial role in the design of inhibitors and drugs and in protein structure analysis. In view of this, an online database, Missing Regions in Polypeptide Chains (MRPC), has been developed which provides information about the missing regions in protein structures available in the Protein Data Bank. In addition, the new database has an option for users to obtain the above data for non‐homologous protein structures (25 and 90%). A user‐friendly graphical interface with various options has been incorporated, with a provision to view the three‐dimensional structure of the protein along with the missing regions using JSmol. The MRPC database is updated regularly (currently once every three months) and can be accessed freely at the URL http://cluster.physics.iisc.ac.in/mrpc.

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Section: Introductionmentioning

confidence: 99%

MRPC (Missing Regions in Polypeptide Chains): a knowledgebase

et al. 2019

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Structural Bioinformatics in the Discovery of Novel Drugs

Khan

Sylte

Innovations in Chemical Biology

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Structural bioinformatics: Deriving biological insights from protein structures

Chandra

Yeturu

2010

Interdiscip Sci Comput Life Sci

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Structural bioinformatics can be described as an approach that will help decipher biological insights from protein structures. As an important component of structural biology, this area promises to provide a high resolution understanding of biology by assisting comprehension and interpretation of a large amount of structural data. Biological function of protein molecules can be inferred from their three-dimensional structures by comparing structures, classifying them and transferring function from a related protein or family. It is well known now that the structure space of protein molecules is more conserved than the sequence space, making it important to seek functional associations at the structural level. An added advantage of structural bioinformatics over simpler sequence-based methods is that the former also provides ultimate insights into the mechanisms by which various biological events take place. A bird's eye-view of the different aspects of structural bioinformatics is given here along with various recent advances in the area including how knowledge obtained from structural bioinformatics can be applied in drug discovery.

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PSST-2.0

Abstract: PSST-2.0 is freely accessible via http://pranag.physics.iisc.ernet.in/psst/ or http://144.16.71.10/psst/.

Cited by 4 publications

References 10 publications

MRPC (Missing Regions in Polypeptide Chains): a knowledgebase

MRPC (Missing Regions in Polypeptide Chains): a knowledgebase

Structural Bioinformatics in the Discovery of Novel Drugs

Structural bioinformatics: Deriving biological insights from protein structures

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