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New page: '''Theoretical Model''' The entry 1ATM is a Theoretical Model titled 'THEORETICAL MODEL OF AN ANTI-TUMOR MONOCLONAL ANTIBODY'. Category:Theoretical Model ''Page seeded by [http://o... |
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{{Theoretical_model}} | |||
==THEORETICAL MODEL OF AN ANTI-TUMOR MONOCLONAL ANTIBODY== | |||
<StructureSection load='1atm' size='340' side='right'caption='[[1atm]]' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1ATM FirstGlance]. <br> | |||
</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1atm FirstGlance], [https://www.ebi.ac.uk/pdbsum/1atm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1atm ProSAT]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Molecular modeling was used to build a three-dimensional model of the variable regions of the tumor-reactive monoclonal antibody BR96. An immunoconjugate of this antibody with the anticancer drug doxorubicin is currently in a phase I clinical trial for the treatment of solid tumors. A model structure of the BR96 variable fragment was generated to guide site-specific mutagenesis experiments and further improve the affinity of the antibody. The model displayed a distinct groove-type binding site which contained a significant number of aromatic residues. The dimensions and nature of the proposed binding site were consistent with the binding of the Ley tetrasaccharide which was found to bind to BR96. On the basis of the model, some BR96 residues are proposed to be crucial for antigen binding. BR96 and its complex with the Ley determinant have recently been crystallized, and structure determination is currently underway. Therefore, the detailed prediction of the BR96 combining site will soon be assessed, as a "blind test", based on crystallographic data. | |||
Three-dimensional model of the BR96 monoclonal antibody variable fragment.,Bajorath J Bioconjug Chem. 1994 May-Jun;5(3):213-9. PMID:7522581<ref>PMID:7522581</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 1atm" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Theoretical Model]] | |||
[[Category: Large Structures]] | |||
[[Category: Bajorath, J]] | |||
[[Category: Sheriff, S]] | |||
Latest revision as of 12:48, 26 May 2021
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THEORETICAL MODEL OF AN ANTI-TUMOR MONOCLONAL ANTIBODYTHEORETICAL MODEL OF AN ANTI-TUMOR MONOCLONAL ANTIBODY
Structural highlights
Publication Abstract from PubMedMolecular modeling was used to build a three-dimensional model of the variable regions of the tumor-reactive monoclonal antibody BR96. An immunoconjugate of this antibody with the anticancer drug doxorubicin is currently in a phase I clinical trial for the treatment of solid tumors. A model structure of the BR96 variable fragment was generated to guide site-specific mutagenesis experiments and further improve the affinity of the antibody. The model displayed a distinct groove-type binding site which contained a significant number of aromatic residues. The dimensions and nature of the proposed binding site were consistent with the binding of the Ley tetrasaccharide which was found to bind to BR96. On the basis of the model, some BR96 residues are proposed to be crucial for antigen binding. BR96 and its complex with the Ley determinant have recently been crystallized, and structure determination is currently underway. Therefore, the detailed prediction of the BR96 combining site will soon be assessed, as a "blind test", based on crystallographic data. Three-dimensional model of the BR96 monoclonal antibody variable fragment.,Bajorath J Bioconjug Chem. 1994 May-Jun;5(3):213-9. PMID:7522581[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References |
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