1x7j: Difference between revisions

← Older edit Newer edit →

Revision as of 16:06, 20 March 2008

File:1x7j.gif

, resolution 2.30Å

Ligands:

Gene:

ESR2, NR3A2, ESTRB (Homo sapiens)

Coordinates:

save as pdb, mmCIF, xml

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 Thu Mar 20 15:06:05 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]]<br /><applet load="1x7j" size="350" color="white" frame="true" align="right" spinBox="true"
+[[Image:1x7j.gif|left|200px]]
-caption="1x7j, resolution 2.30&Aring;" />
-'''CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH GENISTEIN'''<br />
+ {{Structure
+|PDB= 1x7j |SIZE=350|CAPTION= <scene name='initialview01'>1x7j</scene>, resolution 2.30&Aring;
+|SITE=
+|LIGAND= <scene name='pdbligand=GEN:GENISTEIN'>GEN</scene>
+|ACTIVITY=
+|GENE= ESR2, NR3A2, ESTRB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
+}}
+'''CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH GENISTEIN'''
 ==Overview==
@@ Line 7: / Line 16: @@
 ==About this Structure==
-X7J 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=GEN:'>GEN</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1X7J OCA].
+X7J is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1X7J OCA].
 ==Reference==
-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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15576033 15576033]
+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:[http://www.ncbi.nlm.nih.gov/pubmed/15576033 15576033]
 [[Category: Homo sapiens]]
 [[Category: Single protein]]
@@ Line 27: / Line 36: @@
 [[Category: transcription factor]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:51:48 2008''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:06:05 2008''