1x7j: Difference between revisions

Revision as of 14:40, 3 May 2008

CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH GENISTEIN

OverviewOverview

We present X-ray crystallographic and molecular modeling studies of estrogen receptors-alpha and -beta complexed with the estrogen receptor-beta-selective phytoestrogen genistein, and coactivator-derived NR box peptides containing an LXXLL motif. We demonstrate that the ligand binding mode is essentially identical when genistein is bound to both isoforms, despite the considerably weaker affinity of this ligand for estrogen receptor-alpha. In addition, we examine subtle differences between binding site residues, providing an explanation for why genistein is modestly selective for the beta isoform. To this end, we also present the results of quantum chemical studies and thermodynamic arguments that yield insight to the nature of the interactions leading to estrogen receptor-beta selectivity. The importance of our analysis to structure-based drug design is discussed.

About this StructureAbout this Structure

1X7J is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

ReferenceReference

Understanding the selectivity of genistein for human estrogen receptor-beta using X-ray crystallography and computational methods., Manas ES, Xu ZB, Unwalla RJ, Somers WS, Structure. 2004 Dec;12(12):2197-207. PMID:15576033 Page seeded by OCA on Sat May 3 14:40:15 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
 [[Image:1x7j.gif|left|200px]]
- {{Structure
+<!--
-|PDB= 1x7j |SIZE=350|CAPTION= <scene name='initialview01'>1x7j</scene>, resolution 2.30&Aring;
+The line below this paragraph, containing "STRUCTURE_1x7j", creates the "Structure Box" on the page.
-|SITE=
+You may change the PDB parameter (which sets the PDB file loaded into the applet)
-|LIGAND= <scene name='pdbligand=GEN:GENISTEIN'>GEN</scene>
+or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-|ACTIVITY=
+or leave the SCENE parameter empty for the default display.
-|GENE= ESR2, NR3A2, ESTRB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
+-->
-|DOMAIN=
+{{STRUCTURE_1x7j|  PDB=1x7j  |  SCENE=  }}
-|RELATEDENTRY=[[1u3q|1U3Q]], [[1u3r|1U3R]], [[1u3s|1U3S]], [[1u9e|1U9E]], [[1x76|1X76]], [[1x78|1X78]], [[1x7b|1X7B]], [[1x7r|1X7R]]
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1x7j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1x7j OCA], [http://www.ebi.ac.uk/pdbsum/1x7j PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1x7j RCSB]</span>
-}}
 '''CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH GENISTEIN'''
@@ Line 29: / Line 26: @@
 [[Category: Unwalla, R J.]]
 [[Category: Xu, Z B.]]
-[[Category: agonist]]
+[[Category: Agonist]]
-[[Category: er]]
+[[Category: Er]]
-[[Category: er-beta]]
+[[Category: Er-beta]]
-[[Category: estrogen]]
+[[Category: Estrogen]]
-[[Category: estrogen receptor]]
+[[Category: Estrogen receptor]]
-[[Category: estrogen receptor beta]]
+[[Category: Estrogen receptor beta]]
-[[Category: nuclear receptor]]
+[[Category: Nuclear receptor]]
-[[Category: transcription factor]]
+[[Category: Transcription factor]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 14:40:15 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 00:45:44 2008''