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[[Image:1ru9.gif|left|200px]]


{{Structure
==Crystal Structure (A) of u.v.-irradiated cationic cyclization antibody 4C6 Fab at pH 4.6 with a data set collected in-house.==
|PDB= 1ru9 |SIZE=350|CAPTION= <scene name='initialview01'>1ru9</scene>, resolution 2.50&Aring;
<StructureSection load='1ru9' size='340' side='right'caption='[[1ru9]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
|SITE=  
== Structural highlights ==
|LIGAND= <scene name='pdbligand=4HT:4-HYDROXYTRYPTOPHAN'>4HT</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=BEZ:BENZOIC+ACID'>BEZ</scene>, <scene name='pdbligand=GHG:GAMMA-HYDROXY-GLUTAMINE'>GHG</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>
<table><tr><td colspan='2'>[[1ru9]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1RU9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1RU9 FirstGlance]. <br>
|ACTIVITY=  
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.5&#8491;</td></tr>
|GENE=  
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=4HT:4-HYDROXYTRYPTOPHAN'>4HT</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=BEZ:BENZOIC+ACID'>BEZ</scene>, <scene name='pdbligand=GHG:(2S,4S)-2,5-DIAMINO-4-HYDROXY-5-OXOPENTANOIC+ACID+(NON-PREFERRED+NAME)'>GHG</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
|DOMAIN=
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1ru9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ru9 OCA], [https://pdbe.org/1ru9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ru9 RCSB], [https://www.ebi.ac.uk/pdbsum/1ru9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ru9 ProSAT]</span></td></tr>
|RELATEDENTRY=[[1ncw|1NCW]], [[1nd0|1ND0]], [[1rua|1rua]], [[1ruk|1ruk]], [[1rul|1rul]], [[1rum|1rum]], [[1rup|1rup]]
</table>
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1ru9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ru9 OCA], [http://www.ebi.ac.uk/pdbsum/1ru9 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1ru9 RCSB]</span>
== Function ==
}}
[https://www.uniprot.org/uniprot/GCAM_MOUSE GCAM_MOUSE]
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ru/1ru9_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1ru9 ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Antibodies can catalyze the generation of hydrogen peroxide (H2O2) from singlet dioxygen (1O2*) and water via the postulated intermediacy of dihydrogen trioxide (H2O3) and other trioxygen species. Nine different crystal structures were determined to elucidate the chemical consequences to the antibody molecule itself of exposure to such reactive intermediates and to provide insights into the location on the antibody where these species could be generated. Herein, we report structural evidence for modifications of two specific antibody residues within the interfacial region of the variable and constant domains of different murine antibody antigen-binding fragments (Fabs) by reactive species generated during the antibody-catalyzed water oxidation process. Crystal structure analyses of murine Fabs 4C6 and 13G5 after UV-irradiation revealed complex oxidative modifications to tryptophan L163 and, in 4C6, hydroxylation of the Cgamma of glutamine H6. These discrete modifications of specific residues add further support for the "active site" of the water-oxidation pathway being located within the interfacial region of the constant and variable domains and highlight the general resistance of the antibody molecule to oxidation by reactive oxygen species generated during the water-oxidation process.


'''Crystal Structure (A) of u.v.-irradiated cationic cyclization antibody 4C6 Fab at pH 4.6 with a data set collected in-house.'''
Probing the antibody-catalyzed water-oxidation pathway at atomic resolution.,Zhu X, Wentworth P Jr, Wentworth AD, Eschenmoser A, Lerner RA, Wilson IA Proc Natl Acad Sci U S A. 2004 Feb 24;101(8):2247-52. PMID:14982995<ref>PMID:14982995</ref>


From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 1ru9" style="background-color:#fffaf0;"></div>


==Overview==
==See Also==
Antibodies can catalyze the generation of hydrogen peroxide (H2O2) from singlet dioxygen (1O2*) and water via the postulated intermediacy of dihydrogen trioxide (H2O3) and other trioxygen species. Nine different crystal structures were determined to elucidate the chemical consequences to the antibody molecule itself of exposure to such reactive intermediates and to provide insights into the location on the antibody where these species could be generated. Herein, we report structural evidence for modifications of two specific antibody residues within the interfacial region of the variable and constant domains of different murine antibody antigen-binding fragments (Fabs) by reactive species generated during the antibody-catalyzed water oxidation process. Crystal structure analyses of murine Fabs 4C6 and 13G5 after UV-irradiation revealed complex oxidative modifications to tryptophan L163 and, in 4C6, hydroxylation of the Cgamma of glutamine H6. These discrete modifications of specific residues add further support for the "active site" of the water-oxidation pathway being located within the interfacial region of the constant and variable domains and highlight the general resistance of the antibody molecule to oxidation by reactive oxygen species generated during the water-oxidation process.
*[[Monoclonal Antibodies 3D structures|Monoclonal Antibodies 3D structures]]
 
== References ==
==About this Structure==
<references/>
1RU9 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1RU9 OCA].
__TOC__
 
</StructureSection>
==Reference==
[[Category: Large Structures]]
Probing the antibody-catalyzed water-oxidation pathway at atomic resolution., Zhu X, Wentworth P Jr, Wentworth AD, Eschenmoser A, Lerner RA, Wilson IA, Proc Natl Acad Sci U S A. 2004 Feb 24;101(8):2247-52. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/14982995 14982995]
[[Category: Mus musculus]]
[[Category: Mus musculus]]
[[Category: Single protein]]
[[Category: Eschenmoser A]]
[[Category: Eschenmoser, A.]]
[[Category: Lerner RA]]
[[Category: Jr., P Wentworth.]]
[[Category: Wentworth AD]]
[[Category: Lerner, R A.]]
[[Category: Wentworth Jr P]]
[[Category: Wentworth, A D.]]
[[Category: Wilson IA]]
[[Category: Wilson, I A.]]
[[Category: Zhu X]]
[[Category: Zhu, X.]]
[[Category: amino acid modification]]
[[Category: catalytic antibody]]
[[Category: immunoglobulin]]
[[Category: water oxidation]]
 
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