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Category:Resource:Binding Mother of All Databases
Abbrev Binding MOAD  +
Address Bioinformatics Graduate Program  +, Biophysics Research Division  +, University of Michigan  +, Ann Arbor  +, MI 48109  +, Torrey Path LLC  +, MI 48104  +, USA.  +
Availability Free +
CurationStatus curated  +
DefiningCitation  +
Definition A subset of the Protein Data Bank (PDB), c A subset of the Protein Data Bank (PDB), containing every high-quality example of ligand-protein binding, currently with 18,764 Protein-Ligand Structures, 6,311 Structures with Binding Data, ad 9,048 Different Ligands (May 2013). The resolved protein crystal structures with clearly identified biologically relevant ligands are annotated with experimentally determined binding data extracted from literature. A viewer is provided to examine the protein-ligand structures. Ligands have additional chemical data, allowing for cheminformatics mining. Crystallography papers were searched for all 5000+ structures and binding data compiled for 1375 (26%) of the protein-ligand complexes. The binding-affinity data ranges 13 orders of magnitude. To create a nonredundant dataset, one protein from each of the 1780 protein families was chosen as a representative. Representatives were chosen by tightest binding, best resolution, etc. For the 1780 "best" complexes that comprise the nonredundant version of Binding MOAD, 475 (27%) have binding data. This collection of protein-ligand complexes will be useful in elucidating the biophysical patterns of molecular recognition and enzymatic regulation. The complexes with binding-affinity data will help in the development of improved scoring functions and structure-based drug discovery techniques. structure-based drug discovery techniques.
ExampleImage Binding MOAD.PNG +
Grant Category:MCB 0546073   +
Has default formThis property is a special property in this wiki. Resource  +
Has role Database +
Id nif-0000-21048  +
Is part of University of Michigan; Michigan; USA +
Keywords Drug +, Enzymatic +, Affinity +, Binding +, Binding-affinity +, Biological +, Chemical +, Cheminformatic +, Complex +, Crystal +, Crystallography +, Intermolecular interaction +, Signaling pathway +, Ligand +, Protein +, Recognition +, Ligand-protein binding +, Protein crystal structure +, Protein-ligand +
Label Resource:Binding Mother of All Databases  +
Modification dateThis property is a special property in this wiki. 20 June 2013 23:01:30  +
ModifiedDate 20 June 2013  +
PMID 18055497, 16168689, 15971202  +
Page has default formThis property is a special property in this wiki. Resource  +
RelatedTo Resource:3DVC +, Resource:PDB +
SuperCategory Resource  +
Supporting Agency Resource:Arnold and Mabel Beckman Foundation +
Synonym  +
Categories Resource
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