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Figure 1
Example of a conservation-mapped molecular surface and an interfacial subset. (a) A molecular surface is generated from the CDK2 chain in a structure of the CDK2–cyclin A complex (PDB code 1qmz ; Brown et al., 1999BB2). The cyclin molecule is shown in purple and the molecular surface in grey. The peptide substrate is shown in yellow. (b) In the next step of the analysis, conservation scores calculated from a multiple sequence alignment of cdc2 functional homologues are projected onto the molecular surface. The molecular surface is now coloured in shades of red (high conservation), white (intermediate conservation) and blue (low conservation, i.e. high variability). (c) The CDK2–cyclin A interface is extracted by identifying that part of the CDK2 molecular surface that is buried by the cyclin A molecule upon complex formation.

Journal logoBIOLOGICAL
CRYSTALLOGRAPHY
ISSN: 1399-0047
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