4ae0: Difference between revisions

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-[[Image:4ae0.png|left|200px]]
+==Crystal structure of diphtheria toxin mutant CRM197==
+<StructureSection load='4ae0' size='340' side='right' caption='[[4ae0]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[4ae0]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Corynebacterium_diphtheriae Corynebacterium diphtheriae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AE0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4AE0 FirstGlance]. <br>
+</td></tr><tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1f0l|1f0l]], [[4ae1|4ae1]], [[1sgk|1sgk]], [[1dtp|1dtp]], [[1ddt|1ddt]], [[1mdt|1mdt]], [[1tox|1tox]], [[1xdt|1xdt]]</td></tr>
+<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/NAD(+)--diphthamide_ADP-ribosyltransferase NAD(+)--diphthamide ADP-ribosyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.36 2.4.2.36] </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=4ae0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ae0 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4ae0 RCSB], [http://www.ebi.ac.uk/pdbsum/4ae0 PDBsum]</span></td></tr>
+<table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+CRM197 is an enzymatically inactive and nontoxic form of diphtheria toxin that contains a single amino acid substitution (G52E). Being naturally nontoxic, CRM197 is an ideal carrier protein for conjugate vaccines against encapsulated bacteria and is currently used to vaccinate children globally against Haemophilus influenzae, pneumococcus, and meningococcus. To understand the molecular basis for lack of toxicity in CRM197, we determined the crystal structures of the full-length nucleotide-free CRM197 and of CRM197 in complex with the NAD hydrolysis product nicotinamide (NCA), both at 2.0-A resolution. The structures show for the first time that the overall fold of CRM197 and DT are nearly identical and that the striking functional difference between the two proteins can be explained by a flexible active-site loop that covers the NAD binding pocket. We present the molecular basis for the increased flexibility of the active-site loop in CRM197 as unveiled by molecular dynamics simulations. These structural insights, combined with surface plasmon resonance, NAD hydrolysis, and differential scanning fluorimetry data, contribute to a comprehensive characterization of the vaccine carrier protein, CRM197.
-<!--
+Structural basis for lack of toxicity of the diphtheria toxin mutant CRM197.,Malito E, Bursulaya B, Chen C, Surdo PL, Picchianti M, Balducci E, Biancucci M, Brock A, Berti F, Bottomley MJ, Nissum M, Costantino P, Rappuoli R, Spraggon G Proc Natl Acad Sci U S A. 2012 Mar 19. PMID:22431623<ref>PMID:22431623</ref>
-The line below this paragraph, containing "STRUCTURE_4ae0", 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_4ae0|  PDB=4ae0  |  SCENE=  }}
-===Crystal structure of diphtheria toxin mutant CRM197===
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+== References ==
-<!--
+<references/>
-The line below this paragraph, {{ABSTRACT_PUBMED_22431623}}, adds the Publication Abstract to the page
+__TOC__
-(as it appears on PubMed at http://www.pubmed.gov), where 22431623 is the PubMed ID number.
+</StructureSection>
--->
-{{ABSTRACT_PUBMED_22431623}}
-==About this Structure==
-[[4ae0]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Corynebacterium_diphtheriae Corynebacterium diphtheriae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AE0 OCA].
-==Reference==
-<ref group="xtra">PMID:022431623</ref><references group="xtra"/>
 [[Category: Corynebacterium diphtheriae]]
 [[Category: Malito, E.]]
 [[Category: Spraggon, G.]]
 [[Category: Toxin]]