Human cytidine deaminase: understanding the catalytic mechanism
| Autor: | Sauro Vittori, Stefano Costanzi, Silvia Vincenzetti, Rosaria Volpini, Gloria Cristalli, Catia Lambertucci, Sara Taffi, Alberto Vita |
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| Rok vydání: | 2003 |
| Předmět: |
Models
Molecular Stereochemistry Protein Conformation Biochemistry Catalysis Protein Structure Secondary Molecular dynamics Cytidine Deaminase Genetics Escherichia coli Humans Homology modeling Amino Acid Sequence Topology (chemistry) chemistry.chemical_classification Binding Sites biology Escherichia coli Proteins Active site Substrate (chemistry) General Medicine Cytidine deaminase Amino acid Protein Subunits Enzyme chemistry biology.protein Nucleic acid Molecular Medicine |
| Zdroj: | Nucleosides, nucleotidesnucleic acids. 22(5-8) |
| ISSN: | 1525-7770 |
| Popis: | In the absence of an experimentally elucidated three-dimensional structure of the human CDA, we built an homology model of this enzyme starting from the crystal structure of its E. coli homologous. Furthermore, we docked in the active site alternatively the substrate, the intermediate or the product. By means of molecular dynamics simulations, we determined the topology of the active site, identifying the amino acids involved in the catalytic mechanism, and outlining the central role played by E67. |
| Databáze: | OpenAIRE |
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