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Investigating Protein Sequence-structure-dynamics Relationships with Bio3D-web
Published on: July 16, 2017
BioJava-ModFinder: identification of protein modifications in 3D structures from the Protein Data Bank.
Jianjiong Gao1, Andreas Prlic2, Chunxiao Bi2
1Department of Computer Science and C.S. Bond Life Sciences Center, University of Missouri, Columbia, MO 65211, USA.
A new software tool, BioJava-ModFinder, identifies over 400 protein modifications in 3D structures from the Protein Data Bank (PDB). This tool enhances the RCSB PDB website, making modified protein structures searchable and visualized.
Area of Science:
- Structural Biology
- Bioinformatics
Background:
- Protein modifications are crucial for protein function and are extensively documented.
- Existing databases like PDB, RESID, and PSI-MOD contain valuable information on these modifications.
Purpose of the Study:
- To develop a novel software tool for systematically identifying protein modifications in 3D structures.
- To integrate this tool with the RCSB PDB web application for enhanced data accessibility.
Main Methods:
- Developed BioJava-ModFinder, a software tool for identifying protein modifications.
- Collected and curated information on over 400 modification types from PDB, RESID, and PSI-MOD.
- Categorized modifications into modified residues, attachment modifications, and cross-links.
Main Results:
- Identified over 30,000 PDB structures containing protein modifications.
- Integrated BioJava-ModFinder with the RCSB PDB web application.
- Added protein modification annotations to sequence diagrams and structure displays on RCSB PDB.
Conclusions:
- BioJava-ModFinder enables systematic identification and annotation of protein modifications in 3D structures.
- The integration with RCSB PDB significantly improves the discoverability and visualization of modified protein structures.
- This resource facilitates research into the roles of protein modifications in biological systems.
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