1loa

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(New page: 200px<br /><applet load="1loa" size="450" color="white" frame="true" align="right" spinBox="true" caption="1loa, resolution 2.2&Aring;" /> '''THREE-DIMENSIONAL STR...)
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'''THREE-DIMENSIONAL STRUCTURES OF COMPLEXES OF LATHYRUS OCHRUS ISOLECTIN I WITH GLUCOSE AND MANNOSE: FINE SPECIFICITY OF THE MONOSACCHARIDE-BINDING SITE'''<br />
'''THREE-DIMENSIONAL STRUCTURES OF COMPLEXES OF LATHYRUS OCHRUS ISOLECTIN I WITH GLUCOSE AND MANNOSE: FINE SPECIFICITY OF THE MONOSACCHARIDE-BINDING SITE'''<br />
==Overview==
==Overview==
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The structure of the methyl-alpha-D-mannopyranoside-LOL I complex has been, solved by the molecular replacement method using the refined, saccharide-free LOL I coordinates as starting model. The, methyl-alpha-D-mannopyranoside-LOL I complex was refined by simulated, annealing using the program X-PLOR. The final R-factor value is 0.182 [Fo, greater than 1 sigma(Fo)]. The isostructural, methyl-alpha-D-glucopyranoside-LOL I complex was refined by X-Ray coupled, energy minimization using the methyl-alpha-D-mannopyranoside-LOL I, structure as a starting model to an R factor of 0.179 (all data). In both, crystal forms, each dimer binds two molecules of sugar in pockets found, near the calcium ions. The two saccharide moieties, which are in the C1, chair conformation, establish the same hydrogen bond pattern with the, lectin. However, the van der Waals contacts are different between the O2, C2, C6, and O6 atoms of the two molecules and the backbone atoms of, residues 208-211. Mannose, due to its axial C2 conformation, encloses the, backbone atoms of the protein in a clamplike way. Van der Waals energy, calculations suggest that this better complementarity of the mannoside, molecule with the lectin could explain its higher affinity for isolectin, I.
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The structure of the methyl-alpha-D-mannopyranoside-LOL I complex has been solved by the molecular replacement method using the refined saccharide-free LOL I coordinates as starting model. The methyl-alpha-D-mannopyranoside-LOL I complex was refined by simulated annealing using the program X-PLOR. The final R-factor value is 0.182 [Fo greater than 1 sigma(Fo)]. The isostructural methyl-alpha-D-glucopyranoside-LOL I complex was refined by X-Ray coupled energy minimization using the methyl-alpha-D-mannopyranoside-LOL I structure as a starting model to an R factor of 0.179 (all data). In both crystal forms, each dimer binds two molecules of sugar in pockets found near the calcium ions. The two saccharide moieties, which are in the C1 chair conformation, establish the same hydrogen bond pattern with the lectin. However, the van der Waals contacts are different between the O2, C2, C6, and O6 atoms of the two molecules and the backbone atoms of residues 208-211. Mannose, due to its axial C2 conformation, encloses the backbone atoms of the protein in a clamplike way. Van der Waals energy calculations suggest that this better complementarity of the mannoside molecule with the lectin could explain its higher affinity for isolectin I.
==About this Structure==
==About this Structure==
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1LOA is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Lathyrus_ochrus Lathyrus ochrus] with GYP, CA and MN as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1LOA OCA].
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1LOA is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Lathyrus_ochrus Lathyrus ochrus] with <scene name='pdbligand=GYP:'>GYP</scene>, <scene name='pdbligand=CA:'>CA</scene> and <scene name='pdbligand=MN:'>MN</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LOA OCA].
==Reference==
==Reference==
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[[Category: lectin]]
[[Category: lectin]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 20:42:56 2007''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:46:46 2008''

Revision as of 11:46, 21 February 2008

Image:1loa.jpg

1loa, resolution 2.2Å

Drag the structure with the mouse to rotate

THREE-DIMENSIONAL STRUCTURES OF COMPLEXES OF LATHYRUS OCHRUS ISOLECTIN I WITH GLUCOSE AND MANNOSE: FINE SPECIFICITY OF THE MONOSACCHARIDE-BINDING SITE

Overview

The structure of the methyl-alpha-D-mannopyranoside-LOL I complex has been solved by the molecular replacement method using the refined saccharide-free LOL I coordinates as starting model. The methyl-alpha-D-mannopyranoside-LOL I complex was refined by simulated annealing using the program X-PLOR. The final R-factor value is 0.182 [Fo greater than 1 sigma(Fo)]. The isostructural methyl-alpha-D-glucopyranoside-LOL I complex was refined by X-Ray coupled energy minimization using the methyl-alpha-D-mannopyranoside-LOL I structure as a starting model to an R factor of 0.179 (all data). In both crystal forms, each dimer binds two molecules of sugar in pockets found near the calcium ions. The two saccharide moieties, which are in the C1 chair conformation, establish the same hydrogen bond pattern with the lectin. However, the van der Waals contacts are different between the O2, C2, C6, and O6 atoms of the two molecules and the backbone atoms of residues 208-211. Mannose, due to its axial C2 conformation, encloses the backbone atoms of the protein in a clamplike way. Van der Waals energy calculations suggest that this better complementarity of the mannoside molecule with the lectin could explain its higher affinity for isolectin I.

About this Structure

1LOA is a Protein complex structure of sequences from Lathyrus ochrus with , and as ligands. Full crystallographic information is available from OCA.

Reference

Three-dimensional structures of complexes of Lathyrus ochrus isolectin I with glucose and mannose: fine specificity of the monosaccharide-binding site., Bourne Y, Roussel A, Frey M, Rouge P, Fontecilla-Camps JC, Cambillau C, Proteins. 1990;8(4):365-76. PMID:2091026

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