1fd0: Difference between revisions
New page: left|200px<br /> <applet load="1fd0" size="450" color="white" frame="true" align="right" spinBox="true" caption="1fd0, resolution 1.38Å" /> '''ISOTYPE SELECTIVITY... |
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[[Image:1fd0.gif|left|200px]]<br /> | [[Image:1fd0.gif|left|200px]]<br /><applet load="1fd0" size="350" color="white" frame="true" align="right" spinBox="true" | ||
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caption="1fd0, resolution 1.38Å" /> | caption="1fd0, resolution 1.38Å" /> | ||
'''ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARGAMMA-SELECTIVE RETINOID SR11254'''<br /> | '''ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARGAMMA-SELECTIVE RETINOID SR11254'''<br /> | ||
==Overview== | ==Overview== | ||
Hydrogen bonds between polarized atoms play a crucial role in protein | Hydrogen bonds between polarized atoms play a crucial role in protein interactions and are often used in drug design, which usually neglects the potential of C-H...O hydrogen bonds. The 1.4 A resolution crystal structure of the ligand binding domain of the retinoic acid receptor RARgamma complexed with the retinoid SR11254 reveals several types of C-H...O hydrogen bonds. A striking example is the hydroxyl group of the ligand that acts as an H bond donor and acceptor, leading to a synergy between classical and C-H...O hydrogen bonds. This interaction introduces both specificity and affinity within the hydrophobic ligand pocket. The similarity of intraprotein and protein-ligand C-H...O interactions suggests that such bonds should be considered in rational drug design approaches. | ||
==About this Structure== | ==About this Structure== | ||
1FD0 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 254 and LMU as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http:// | 1FD0 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=254:'>254</scene> and <scene name='pdbligand=LMU:'>LMU</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1FD0 OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Klaholz, B | [[Category: Klaholz, B P.]] | ||
[[Category: Moras, D.]] | [[Category: Moras, D.]] | ||
[[Category: SPINE, Structural | [[Category: SPINE, Structural Proteomics in Europe.]] | ||
[[Category: 254]] | [[Category: 254]] | ||
[[Category: LMU]] | [[Category: LMU]] | ||
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[[Category: structural proteomics in europe]] | [[Category: structural proteomics in europe]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 12:37:25 2008'' | ||
Revision as of 10:37, 21 February 2008
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ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARGAMMA-SELECTIVE RETINOID SR11254
Overview
Hydrogen bonds between polarized atoms play a crucial role in protein interactions and are often used in drug design, which usually neglects the potential of C-H...O hydrogen bonds. The 1.4 A resolution crystal structure of the ligand binding domain of the retinoic acid receptor RARgamma complexed with the retinoid SR11254 reveals several types of C-H...O hydrogen bonds. A striking example is the hydroxyl group of the ligand that acts as an H bond donor and acceptor, leading to a synergy between classical and C-H...O hydrogen bonds. This interaction introduces both specificity and affinity within the hydrophobic ligand pocket. The similarity of intraprotein and protein-ligand C-H...O interactions suggests that such bonds should be considered in rational drug design approaches.
About this Structure
1FD0 is a Single protein structure of sequence from Homo sapiens with 254 and LMU as ligands. Full crystallographic information is available from OCA.
Reference
C-H...O hydrogen bonds in the nuclear receptor RARgamma--a potential tool for drug selectivity., Klaholz B, Moras D, Structure. 2002 Sep;10(9):1197-204. PMID:12220491
Page seeded by OCA on Thu Feb 21 12:37:25 2008
