1d7h
From Proteopedia
(New page: 200px<br /> <applet load="1d7h" size="450" color="white" frame="true" align="right" spinBox="true" caption="1d7h, resolution 1.90Å" /> '''FKBP COMPLEXED WITH...) |
|||
| Line 1: | Line 1: | ||
| - | [[Image:1d7h.gif|left|200px]]<br /> | + | [[Image:1d7h.gif|left|200px]]<br /><applet load="1d7h" size="350" color="white" frame="true" align="right" spinBox="true" |
| - | <applet load="1d7h" size=" | + | |
caption="1d7h, resolution 1.90Å" /> | caption="1d7h, resolution 1.90Å" /> | ||
'''FKBP COMPLEXED WITH DMSO'''<br /> | '''FKBP COMPLEXED WITH DMSO'''<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== | ||
| - | 1D7H 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, SO4 and DMS 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:// | + | 1D7H 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>, <scene name='pdbligand=SO4:'>SO4</scene> and <scene name='pdbligand=DMS:'>DMS</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=1D7H OCA]. |
==Reference== | ==Reference== | ||
| Line 17: | Line 16: | ||
[[Category: Burkhard, P.]] | [[Category: Burkhard, P.]] | ||
[[Category: Taylor, P.]] | [[Category: Taylor, P.]] | ||
| - | [[Category: Walkinshaw, M | + | [[Category: Walkinshaw, M D.]] |
[[Category: DMS]] | [[Category: DMS]] | ||
[[Category: NH4]] | [[Category: NH4]] | ||
| Line 26: | Line 25: | ||
[[Category: isomerase]] | [[Category: isomerase]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 12:13:45 2008'' |
Revision as of 10:13, 21 February 2008
|
FKBP COMPLEXED WITH DMSO
Overview
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
1D7H 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.
Reference
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
Page seeded by OCA on Thu Feb 21 12:13:45 2008
Categories: Homo sapiens | Peptidylprolyl isomerase | Single protein | Burkhard, P. | Taylor, P. | Walkinshaw, M D. | DMS | NH4 | SO4 | Dmso | Fkbp | Immunophilin | Isomerase
