FMODB

FMODB: The database of quantum mechanical data based on the FMO method

Last updated: 2024-07-23

All entries: 37450

Number of unique PDB entries: 7783


2024.6

Collaboration with


In order to expand the use of FMO data in the drug discovery and structural biology communities, we have started a collaboration between PDBj(https://pdbj.org) and FMODB (https://drugdesign.riken.jp/FMODB/) in FY2023, in cooperation with Prof. Genji Kurisu and Dr. Gert-Jan Bekker at Institute for Protein Research, Osaka University.

As a first step to improve data utilization convenience, we have placed mutual links by the related FMODB ID and PDB ID for each PDB and FMODB data on the HP to allow easy access to each other's data (Figure 1).
The FMODB dataset has been steadily accumulating year by year, including not only X-ray crystal structures but also other experimental structures registered in the PDB and molecular simulation structures such as MD snapshot data (Table 1, Figure 3).
Table 1 shows detailed figures on the number of entries, and Figure 3 detail analyses of the types of original structures.


Cooperation with PDBj: Improvement of convenience by mutual linkage (Figure 1)

Growth of FMODB data per year (Figure 2)

Composition of the original structure of FMODB
(Figure 3, Overall Data Distribution (a) and Detailed Breakdown of 'Others' (b)))

Number of each data on FMODB (Table 1)


Acknowledgments


The developers of FMODB would like to thank Prof. Genji Kurisu and Dr. Gert-Jan Bekker of Institute for Protein Research, Osaka University for fruitful discussions and technical support of the collaboration with PDBj.