Annotating Macromolecular Complexes in the Protein Data Bank: Improving the FAIRness of Structure Data.

ABSTRACT: Macromolecular complexes are essential functional units in nearly all cellular processes, and their atomic-level understanding is critical for elucidating and modulating molecular mechanisms. The Protein Data Bank (PDB) serves as the global repository for experimentally determined structures of macromolecules. Structural data in the PDB offer valuable insights into the dynamics, conformation, and functional states of biological assemblies. However, the current annotation practices lack standardised naming conventions for assemblies in the PDB, complicating the identification of instances representing the same assembly. In this study, we introduce a method leveraging resources external to PDB, such as the Complex Portal, UniProt and Gene Ontology, to describe assemblies and contextualise th

SUBMITTER: Appasamy SD 

PROVIDER: S-EPMC10692154 | biostudies-literature | 2023 Dec

REPOSITORIES: biostudies-literature