1fd0: Difference between revisions
No edit summary |
No edit summary |
||
| Line 4: | Line 4: | ||
|PDB= 1fd0 |SIZE=350|CAPTION= <scene name='initialview01'>1fd0</scene>, resolution 1.38Å | |PDB= 1fd0 |SIZE=350|CAPTION= <scene name='initialview01'>1fd0</scene>, resolution 1.38Å | ||
|SITE= | |SITE= | ||
|LIGAND= <scene name='pdbligand=254:6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC+ACID'>254</scene> | |LIGAND= <scene name='pdbligand=254:6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC+ACID'>254</scene>, <scene name='pdbligand=LMU:DODECYL-ALPHA-D-MALTOSIDE'>LMU</scene> | ||
|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
|DOMAIN= | |||
|RELATEDENTRY=[[2lbd|2LBD]], [[3lbd|3LBD]], [[1exa|1EXA]], [[1exx|1EXX]], [[1fcz|1fcz]], [[1fcy|1fcy]], [[1fcx|1fcx]] | |||
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1fd0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1fd0 OCA], [http://www.ebi.ac.uk/pdbsum/1fd0 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1fd0 RCSB]</span> | |||
}} | }} | ||
| Line 25: | Line 28: | ||
[[Category: Moras, D.]] | [[Category: Moras, D.]] | ||
[[Category: SPINE, Structural Proteomics in Europe.]] | [[Category: SPINE, Structural Proteomics in Europe.]] | ||
[[Category: antiparallel alpha-helical sandwich fold]] | [[Category: antiparallel alpha-helical sandwich fold]] | ||
[[Category: ch...o hydrogen bond]] | [[Category: ch...o hydrogen bond]] | ||
| Line 36: | Line 37: | ||
[[Category: structural proteomics in europe]] | [[Category: structural proteomics in europe]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 20:20:29 2008'' | ||
Revision as of 17:20, 30 March 2008
| |||||||||||||
| 1fd0, resolution 1.38Å | |||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ligands: | 254, LMU | ||||||||||||
| Related: | 2LBD, 3LBD, 1EXA, 1EXX, 1fcz, 1fcy, 1fcx
| ||||||||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
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. 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 Sun Mar 30 20:20:29 2008
