| Literature DB >> 15629656 |
Constanza Cárdenas1, José Luis Villaveces, Carlos Suárez, Mateo Obregón, Marysol Ortiz, Manuel Elkin Patarroyo.
Abstract
A study was performed on the HLA-DRbeta1*0401-collagen II peptide complex using the computation of electronic multipolar variables proposed by us previously. Furthermore, these results were compared with those obtained for the HLA-DRbeta1*0101-haemaglutinin peptide complex studied by us with the same tools, confirming that Pocket 1 for this new complex is also the most important pocket for the interaction between the presenting molecule and the presented peptide. The pocket hierarchy established for HLA-DRbeta1*0401 allele was P1 >> P9 approximately P7 > P6 > P4, whilst a P1 >> P4 > P9 approximately P7>P6 pocket hierarchy was found for HLA-DRbeta1*0101, showing how the relative importance of the pockets distinguishes the two alleles. There are high correlation levels with experimental results (when possible), again confirming the validity of using calculated values for electronic multipolar variables as a useful tool for studying interactions between immune system molecules and peptides.Mesh：
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Year: 2005 PMID： 15629656 DOI： 10.1016/j.jsb.2004.08.003
Source DB: PubMed Journal: J Struct Biol ISSN： 1047-8477 Impact factor: 2.867