ArticleNucleic acids research2024
MESPEUS: a database of metal coordination groups in proteins.
Article in Nucleic acids research, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed, 23 citations in OpenAlex.
- Supercoiled DNA recognition and cleavage control in topoisomerase VI.Nature communications · 2026Article
- Quantum-machine-assisted drug discovery.npj drug discovery · 2026Review
- Structural basis of herpesvirus helicase-primase inhibition by pritelivir and amenamevir.Science advances · 2025Article
- SuperMetal: a generative AI framework for rapid and precise metal ion location prediction in proteins.Journal of cheminformatics · 2025Article
- Recent advances and future challenges in predictive modeling of metalloproteins by artificial intelligence.Molecules and cells · 2025Review
- Crystallographic Fragment Screening of a Bifunctional Proline Catabolic Enzyme Reveals New Inhibitor Templates for Proline Dehydrogenase and L-Glutamate-γ-semialdehyde Dehydrogenase.Molecules (Basel, Switzerland) · 2024Article
- Crystal structure of the Rib domain of the cell-wall-anchored surface protein from Limosilactobacillus reuteri.Acta crystallographica. Section F, Structural biology communications · 2024Article
- A database overview of metal-coordination distances in metalloproteins.Acta crystallographica. Section D, Structural biology · 2024Article
- The 2024 Nucleic Acids Research database issue and the online molecular biology database collection.Nucleic acids research · 2024Article
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Authors and funding
4 authors at 1 institution in 1 country.
Funding
Abstract
MESPEUS is a freely accessible database which uses carefully selected metal coordination groups found in metalloprotein structures taken from the Protein Data Bank. The database contains geometrical information of metal sites within proteins, including 40 metal types. In order to completely determine the metal coordination, the symmetry-related units of a given protein structure are taken into account and are generated using the appropriate space group symmetry operations. This permits a more complete description of the metal coordination geometry by including all coordinating atoms. The user-friendly web interface allows users to directly search for a metal site of interest using several useful options, including searching for metal elements, metal-donor distances, coordination number, donor residue group, and structural resolution. These searches can be carried out singly or in combination. The details of a metal site and the metal site(s) in the whole structure can be graphically displayed using the interactive web interface. MESPEUS is automatically updated monthly by synchronizing with the PDB database. An investigation for the Mg-ATP interaction is given to demonstrate how MESPEUS can be used to extract information about metal sites by selecting structure and coordination features. MESPEUS is available at http://mespeus.nchu.edu.tw/.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.