Work

Small-molecule ligand/drug representation and validation in the Protein Data Bank

Year: 2017
Type: article
Abstract: The Protein Data Bank (PDB) was established in 1971 with just seven X-ray crystallographic structures of proteins as the first open access digital resource in the biological sciences [1]. Currently, the global PDB Archive holds ~134,000 deposited and processed coordinates of biological macromolecules. Every structure deposited to the PDB undergoes an extensive validation process, which was developed in consultation with community stakeholders by the Worldwide Protein Data Bank organization (wwpdb.org) that is responsible for managing the PDB Archive. During structure determination and refinement, experimentalists are encouraged to access the anonymous wwPDB Validation Server (http://wwpdb-validation.wwpdb.org/) to evaluate structure quality prior to deposition. For ligands, the watermarked, official wwPDB Validation Report includes both geometrical and model fit diagnostic information.
Language: English
Open Access status: hybrid
Estimated APC paid: $4,430
OpenAlex ID: W2779026895
FWCI:
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