Restraint validation of biomolecular structures determined by NMR in the Protein Data Bank.

ABSTRACT: Biomolecular structure analysis from experimental NMR studies generally relies on restraints derived from a combination of experimental and knowledge-based data. A challenge for the structural biology community has been a lack of standards for representing these restraints, preventing the establishment of uniform methods of model-vs-data structure validation against restraints and limiting interoperability between restraint-based structure modeling programs. The NEF and NMR-STAR formats provide a standardized approach for representing commonly used NMR restraints. Using these restraint formats, a standardized validation system for assessing structural models of biopolymers against restraints has been developed and implemented in the wwPDB OneDep data deposition-validation-biocuration syste

SUBMITTER: Baskaran K 

PROVIDER: S-EPMC11162339 | biostudies-literature | 2024 Jun

REPOSITORIES: biostudies-literature