1t0w
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(New page: 200px<br /><applet load="1t0w" size="450" color="white" frame="true" align="right" spinBox="true" caption="1t0w" /> '''25 NMR structures of Truncated Hevein of 32 ...)
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Revision as of 00:47, 21 November 2007
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25 NMR structures of Truncated Hevein of 32 aa (Hevein-32) complex with N,N,N-triacetylglucosamina
Overview
HEV32, a 32-residue, truncated hevein lacking eleven C-terminal amino, acids, was synthesized by solid-phase methodology and correctly folded, with three cysteine bridge pairs. The affinities of HEV32 for small chitin, fragments--in the forms of N,N',N"-triacetylchitotriose ((GlcNAc)3), (millimolar) and N,N',N",N"',N"",N""'-hexaacetylchitohexaose ((GlcNAc)6), (micromolar)--as measured by NMR and fluorescence methods, are comparable, with those of native hevein. The HEV32 ligand-binding process is enthalpy, driven, while entropy opposes binding. The NMR structure of ligand-bound, HEV32 in aqueous solution was determined to be highly similar to the NMR, structure of ligand-bound hevein. Solvated molecular-dynamics simulations, were performed in order to monitor the changes in side-chain conformation, of the binding site of HEV32 and hevein upon interaction with ligands. The, calculations suggest that the Trp21 side-chain orientation of HEV32 in the, free form differs from that in the bound state; this agrees with, fluorescence and thermodynamic data. HEV32 provides a simple molecular, model for studying protein-carbohydrate interactions and for understanding, the physiological relevance of small native hevein domains lacking, C-terminal residues.
About this Structure
1T0W is a Single protein structure of sequence from [1] with NH2 as ligand. Full crystallographic information is available from OCA.
Reference
NMR and modeling studies of protein-carbohydrate interactions: synthesis, three-dimensional structure, and recognition properties of a minimum hevein domain with binding affinity for chitooligosaccharides., Aboitiz N, Vila-Perello M, Groves P, Asensio JL, Andreu D, Canada FJ, Jimenez-Barbero J, Chembiochem. 2004 Sep 6;5(9):1245-55. PMID:15368576
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