1d6o: Difference between revisions
New page: left|200px<br /> <applet load="1d6o" size="450" color="white" frame="true" align="right" spinBox="true" caption="1d6o, resolution 1.85Å" /> '''NATIVE FKBP'''<br /... |
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[[Image:1d6o.gif|left|200px]]<br /> | [[Image:1d6o.gif|left|200px]]<br /><applet load="1d6o" size="350" color="white" frame="true" align="right" spinBox="true" | ||
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caption="1d6o, resolution 1.85Å" /> | caption="1d6o, resolution 1.85Å" /> | ||
'''NATIVE FKBP'''<br /> | '''NATIVE FKBP'''<br /> | ||
==Overview== | ==Overview== | ||
A new crystal form of native FK506 binding protein (FKBP) has been | A new crystal form of native FK506 binding protein (FKBP) has been obtained which has proved useful in ligand binding studies. Three different small molecule ligand complexes and the native enzyme have been determined at higher resolution than 2.0 A. Dissociation constants of the related small molecule ligands vary from 20 mM for dimethylsulphoxide to 200 microM for tetrahydrothiophene 1-oxide. Comparison of the four available crystal structures shows that the protein structures are identical to within experimental error, but there are differences in the water structure in the active site. Analysis of the calculated buried surface areas of these related ligands provides an estimated van der Waals contribution to the binding energy of -0.5 kJ/A(2) for non-polar interactions between ligand and protein. | ||
==About this Structure== | ==About this Structure== | ||
1D6O is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with NH4 and SO4 as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] Full crystallographic information is available from [http:// | 1D6O is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=NH4:'>NH4</scene> and <scene name='pdbligand=SO4:'>SO4</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1D6O OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: Burkhard, P.]] | [[Category: Burkhard, P.]] | ||
[[Category: Taylor, P.]] | [[Category: Taylor, P.]] | ||
[[Category: Walkinshaw, M | [[Category: Walkinshaw, M D.]] | ||
[[Category: NH4]] | [[Category: NH4]] | ||
[[Category: SO4]] | [[Category: SO4]] | ||
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[[Category: isomerase]] | [[Category: isomerase]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 12:13:32 2008'' | ||
Revision as of 13:13, 21 February 2008
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NATIVE FKBP
OverviewOverview
A new crystal form of native FK506 binding protein (FKBP) has been obtained which has proved useful in ligand binding studies. Three different small molecule ligand complexes and the native enzyme have been determined at higher resolution than 2.0 A. Dissociation constants of the related small molecule ligands vary from 20 mM for dimethylsulphoxide to 200 microM for tetrahydrothiophene 1-oxide. Comparison of the four available crystal structures shows that the protein structures are identical to within experimental error, but there are differences in the water structure in the active site. Analysis of the calculated buried surface areas of these related ligands provides an estimated van der Waals contribution to the binding energy of -0.5 kJ/A(2) for non-polar interactions between ligand and protein.
About this StructureAbout this Structure
1D6O is a Single protein structure of sequence from Homo sapiens with and as ligands. Active as Peptidylprolyl isomerase, with EC number 5.2.1.8 Full crystallographic information is available from OCA.
ReferenceReference
X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies., Burkhard P, Taylor P, Walkinshaw MD, J Mol Biol. 2000 Jan 28;295(4):953-62. PMID:10656803
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