MeDBA: the Metalloenzyme Data Bank and Analysis platform

Metalloenzymes are attractive research targets in fields of chemistry, biology, and medicine. Given that metalloenzymes can manifest conservation of metal-coordination and ligand binding modes, the excavation and expansion of metalloenzyme-specific knowledge is of interest in bridging metalloenzyme-...

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Bibliographic Details
Published in:Nucleic acids research 2023-01, Vol.51 (D1), p.D593-D602
Main Authors: Yu, Jun-Lin, Wu, Song, Zhou, Cong, Dai, Qing-Qing, Schofield, Christopher J, Li, Guo-Bo
Format: Article
Language:English
Subjects:
Catalytic Domain
Database Issue
Databases, Protein
Enzymes
Ligands
Metalloproteins - metabolism
Metals
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Summary:Metalloenzymes are attractive research targets in fields of chemistry, biology, and medicine. Given that metalloenzymes can manifest conservation of metal-coordination and ligand binding modes, the excavation and expansion of metalloenzyme-specific knowledge is of interest in bridging metalloenzyme-related fields. Building on our previous metalloenzyme-ligand association database, MeLAD, we have expanded the scope of metalloenzyme-specific knowledge and services, by forming a versatile platform, termed the Metalloenzyme Data Bank and Analysis (MeDBA). The MeDBA provides: (i) manual curation of metalloenzymes into different categories, that this M-I, M-II and M-III; (ii) comprehensive information on metalloenzyme activities, expression profiles, family and disease links; (iii) structural information on metalloenzymes, in particular metal binding modes; (iv) metalloenzyme substrates and bioactive molecules acting on metalloenzymes; (v) excavated metal-binding pharmacophores and (vi) analysis tools for structure/metal active site comparison and metalloenzyme profiling. The MeDBA is freely available at https://medba.ddtmlab.org.
ISSN:0305-1048
1362-4962
DOI:10.1093/nar/gkac860