2023
Conformational study of small carbon rings in ligands
BUČEKOVÁ, Gabriela, Viktoriia DOSHCHENKO, Vladimír HORSKÝ a Radka SVOBODOVÁZákladní údaje
Originální název
Conformational study of small carbon rings in ligands
Vydání
3D-BioInfo | ICSB 3D-SIG | ELIXIR Czech Republic Community Meeting in Structural Bioinformatics, 2023
Další údaje
Jazyk
angličtina
Typ výsledku
Konferenční abstrakt
Obor
10608 Biochemistry and molecular biology
Stát vydavatele
Česká republika
Utajení
není předmětem státního či obchodního tajemství
Odkazy
Organizační jednotka
Přírodovědecká fakulta
Příznaky
Mezinárodní význam
Změněno: 1. 8. 2024 21:21, Mgr. Bc. Gabriela Bučeková
Anotace
V originále
Structural data of biomacromolecules is a vital resource across various scientific disciplines. The Protein Data Bank (PDB), housing over 190,000 experimentally determined three-dimensional structural information for macromolecules and their associated ligands. While rigorous validation precedes the deposition of each molecular structure, the increasing volume of determined structures necessitates heightened scrutiny of data quality. Numerous criteria for assessing the quality of biomacromolecule and ligand structures have been established. However, specific parameters, such as the validation of ligand ring conformations, remain conspicuously absent from validation reports. The analysis focused on crystallographic data as we can validate the model based on the electron density coverage. By enhancing our understanding of the relationship between structure and function in these fundamental molecular components, this work improves data quality in the PDB and its role as a critical resource in structural biology and related scientific disciplines.
Návaznosti
| LM2023055, projekt VaV |
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