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pHLA3D: An online database of predicted three-dimensional structures of HLA molecules

2019; Elsevier BV; Volume: 80; Issue: 10 Linguagem: Inglês

10.1016/j.humimm.2019.06.009

1879-1166

Deylane Menezes Teles e Oliveira, Rafael Melo Santos de Serpa Brandão, Luiz Cláudio Demes da Mata Sousa, Francisco das Chagas Alves Lima, Semíramis Jamil Hadad do Monte, Mário Sérgio Coelho Marroquim, Antonio Vanildo de Sousa Lima, Antônio Gilberto Borges Coelho, Jhonatan Matheus Sousa Costa, Ricardo Martins Ramos, Adalberto Socorro da Silva,

Immunotherapy and Immune Responses

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.