4dv8

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Line 1: Line 1:
-
[[Image:4dv8.jpg|left|200px]]
+
==Anthrax Lethal Factor metalloproteinase in complex with the Hydroxamic acid based small molecule PT8421==
 +
<StructureSection load='4dv8' size='340' side='right' caption='[[4dv8]], [[Resolution|resolution]] 1.63&Aring;' scene=''>
 +
== Structural highlights ==
 +
<table><tr><td colspan='2'>[[4dv8]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacillus_anthracis Bacillus anthracis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4DV8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4DV8 FirstGlance]. <br>
 +
</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0LX:(2S)-6-[(4-FLUOROBENZYL)AMINO]-2-[(2R)-2-(4-FLUOROPHENYL)-2-METHOXYETHYL]-N-HYDROXYHEXANAMIDE'>0LX</scene>, <scene name='pdbligand=MLI:MALONATE+ION'>MLI</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>
 +
<tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">lef, pXO1-107, BXA0172, GBAA_pXO1_0172 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1392 Bacillus anthracis])</td></tr>
 +
<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Anthrax_lethal_factor_endopeptidase Anthrax lethal factor endopeptidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.83 3.4.24.83] </span></td></tr>
 +
<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4dv8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4dv8 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4dv8 RCSB], [http://www.ebi.ac.uk/pdbsum/4dv8 PDBsum]</span></td></tr>
 +
<table>
 +
<div style="background-color:#fffaf0;">
 +
== Publication Abstract from PubMed ==
 +
Four core structures capable of providing sub-nanomolar inhibitors of anthrax lethal factor (LF) were evaluated by comparing the potential for toxicity, physicochemical properties, in vitro ADME profiles, and relative efficacy in a rat lethal toxin (LT) model of LF intoxication. Poor efficacy in the rat LT model exhibited by the phenoxyacetic acid series (3) correlated with low rat microsome and plasma stability. Specific molecular interactions contributing to the high affinity of inhibitors with a secondary amine in the C2-side chain were revealed by X-ray crystallography.
-
<!--
+
Antidotes to anthrax lethal factor intoxication. Part 3: Evaluation of core structures and further modifications to the C2-side chain.,Jiao GS, Kim S, Moayeri M, Crown D, Thai A, Cregar-Hernandez L, McKasson L, Sankaran B, Lehrer A, Wong T, Johns L, Margosiak SA, Leppla SH, Johnson AT Bioorg Med Chem Lett. 2012 Mar 15;22(6):2242-6. Epub 2012 Feb 1. PMID:22342144<ref>PMID:22342144</ref>
-
The line below this paragraph, containing "STRUCTURE_4dv8", creates the "Structure Box" on the page.
+
-
You may change the PDB parameter (which sets the PDB file loaded into the applet)
+
-
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
+
-
or leave the SCENE parameter empty for the default display.
+
-
-->
+
-
{{STRUCTURE_4dv8| PDB=4dv8 | SCENE= }}
+
-
===Anthrax Lethal Factor metalloproteinase in complex with the Hydroxamic acid based small molecule PT8421===
+
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 +
</div>
-
 
+
==See Also==
-
<!--
+
*[[Anthrax Lethal Factor|Anthrax Lethal Factor]]
-
The line below this paragraph, {{ABSTRACT_PUBMED_22342144}}, adds the Publication Abstract to the page
+
== References ==
-
(as it appears on PubMed at http://www.pubmed.gov), where 22342144 is the PubMed ID number.
+
<references/>
-
-->
+
__TOC__
-
{{ABSTRACT_PUBMED_22342144}}
+
</StructureSection>
-
 
+
-
==About this Structure==
+
-
[[4dv8]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacillus_anthracis Bacillus anthracis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4DV8 OCA].
+
-
 
+
-
==Reference==
+
-
<ref group="xtra">PMID:022342144</ref><references group="xtra"/>
+
[[Category: Anthrax lethal factor endopeptidase]]
[[Category: Anthrax lethal factor endopeptidase]]
[[Category: Bacillus anthracis]]
[[Category: Bacillus anthracis]]

Revision as of 08:02, 5 June 2014

Anthrax Lethal Factor metalloproteinase in complex with the Hydroxamic acid based small molecule PT8421

4dv8, resolution 1.63Å

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/4dv8"
Views
Personal tools
Navigation
Toolbox