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Modelling the structure of latexin-carboxypeptidase A complex based on chemical cross-linking and molecular docking

Mouradov, Dmitri; Craven, Ari; Forwood, Jade; Flanagan, Jack U; Garcia-Castellanos, Raquel; Gomis-Ruth, F. Xavier; Hume, D A; Martin, Jennifer Louise; Kobe, Bostjan; Huber, Thomas


We have determined the three-dimensional structure of the protein complex between latexin and carboxypeptidase A using a combination of chemical cross-linking, mass spectrometry and molecular docking. The locations of three intermolecular cross-links were identified using mass spectrometry and these constraints were used in combination with a speed-optimised docking algorithm allowing us to evaluate more than 3 × 1011 possible conformations. While cross-links represent only limited structural...[Show more]

CollectionsANU Research Publications
Date published: 2006
Type: Journal article
Source: Protein Engineering Design and Selection
DOI: 10.1093/protein/gzi070


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