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Modeling an Enzyme Active Site using Molecular Visualization Freeware
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Atypical protonation states in the active site of HIV-1 protease: a computational study

Paul Czodrowski1, Christoph A Sotriffer, Gerhard Klebe

  • 1Institut für Pharmazeutische Chemie, Philipps-Universität Marburg, Marbacher Weg 6, 35032 Marburg, Germany.

Journal of Chemical Information and Modeling
|May 17, 2007
PubMed

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Binding sites linkages can regulate a protein's function.  For example, enzyme activity is often regulated through a feedback mechanism where the end product of the biochemical process serves as an inhibitor.
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Many proteins’ biological role depends on their interactions with their ligands, small molecules that bind to specific locations on the protein known as ligand-binding sites. Ligand-binding sites are often conserved among homologous proteins as these sites are critical for protein function.
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Ligand Binding and Linkage

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Basicity of Aliphatic Amines

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Basicity of Heterocyclic Aromatic Amines

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