A detailed molecular model for human aromatase |
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Authors: | CA Laughton MJ Zvelebil S Neidle |
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Affiliation: | CRC Biomolecular Structure Unit, Institute of Cancer Research, Sutton, Surrey, England. |
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Abstract: | Using a variety of techniques, including sequence alignment, secondary structure prediction, molecular mechanics and molecular dynamics, we have constructed a model for the three-dimensional structure of P-450arom (human aromatase) based on that of P-450cam, the only cytochrome P-450 enzyme for which the crystal structure is known. The predicted structure is found to be in good agreement with current experimental data; both direct, from site-directed mutagenesis studies, and indirect, from the consideration of the structures and activities of known substrates and inhibitors. |
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