| Literature DB >> 31239187 |
Deylane Menezes Teles E Oliveira1, Rafael Melo Santos de Serpa Brandão1, Luiz Claudio Demes da Mata Sousa2, Francisco das Chagas Alves Lima3, Semiramis Jamil Hadad do Monte1, Mário Sérgio Coelho Marroquim1, Antonio Vanildo de Sousa Lima1, Antonio Gilberto Borges Coelho1, Jhonatan Matheus Sousa Costa4, Ricardo Martins Ramos5, Adalberto Socorro da Silva6.
Abstract
HLA epitope analysis emerged as a strategy to determine alloimmune risk in solid organ transplantation. However, it requires not only knowledge on HLA amino acids sequences, but also on HLA three-dimensional structures. Unfortunately, the number of structures available is still unsatisfactory. This work reports the modelling of 106 heterotrimeric (alpha chain + β2M + peptide) HLA class I molecules. The models were generated by homology modelling using Modeller, refined using GalaxyRefine server, heterodimerized with Swiss-PDB Viewer and, finally, assessed as to their structural quality through Dali server. The final structures were made available through a free online database, pHLA3D (www.phla3d.com.br), developed in Ruby language using the Ruby on Rails web framework. Structural parameters were similar between refined molecules and their templates. The new database may improve HLA epitope analysis and better guide risk assessment in solid organ transplantation setting.Entities:
Keywords: 3D structure; HLA alleles; Homology modelling
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Year: 2019 PMID： 31239187 DOI： 10.1016/j.humimm.2019.06.009
Source DB: PubMed Journal: Hum Immunol ISSN： 0198-8859 Impact factor: 2.850