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Building a Structured PDB: The RS-PDB Database

Authors: Zoltan Szabadka; Vince Grolmusz;

Building a Structured PDB: The RS-PDB Database

Abstract

A method for automatically analyzing structures deposited in the Protein Data Bank is presented. The method is capable to detect missing atoms, bond length deviations, atom bumps and to correctly identify protein-ligand complexes. The results are organized into a database, called the Rich Structure PDB (RS-PDB in short) from which one can easily select PDB entries satisfying diverse sets of requirements. The newer and richer mmCIF format of both the PDB and its chemical component dictionary (formerly the HET Group Dictionary) were used in the construction, and the International Chemical Identifier (InChI) of IUPAC played a main role in correctly identifying distinct ligands.

Related Organizations
Keywords

Proteomics, Protein Conformation, Proteins, Crystallography, X-Ray, Ligands, X-Ray Diffraction, Sequence Analysis, Protein, Databases, Protein, Algorithms, Software, Hydrogen, Information Systems, Protein Binding

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Found an issue? Give us feedback
selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
10
Average
Top 10%
Top 10%
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