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The determination and analysis of protein crystal structure and protein: ligand interactions

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The Russian group will synthesize protein molecules, their substrates and ligands and analogues. The proteins under study will be purified and characterised biochemically and spectroscopically. Experiments to crystallise proteins, in the free state and complexed with substrates and ligands and their analogues, will be undertaken.

The Choubnikov group will study the interpretation of electron density maps of protein molecules. There will be an investigation of methods to characterise electron density maps with desirable and undesirable characteristics and non-negative density and contrast.

The interpretation of the active sites of the protein structureand their chemistry will also be carried out and will be used to design new substrate analogues and inhibitors. This will be particularly important in the ribonuclease studies where the complex interactions between the enzyme and distend ribonucleotides that govern specificity will be investigated.

The York group will carry out the crystal structure analysis of the proteins. This will begin with crystallisation experiments. The X-ray diffraction data will be collected and processed using both rotating anode and synchrotron radiation sources. The structures will be solved by molecular replacement methods, though anomalous scattering and other effects may also be exploited. Once solved the molecules and the associated water will be visualised, refined and analysed. Inspection of the protein and its substrate contacts will be carried out on high performance graphics.

The application of the direct methods will also be carried out by the York group. These calculations will produce a series of possible solutions which will be interpreted by inspection on the graphics devices and also by reference to figures of merit criteria.

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UNIVERSITY OF YORK
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YO1 5DD YORK
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Letzte Aktualisierung: 19 September 1996

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Permalink: https://cordis.europa.eu/project/id/INTAS-1010-CT93-0012/de

European Union, 2024