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PDBsum entry 1k5l
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References listed in PDB file
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Key reference
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Title
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Modelling of fish interleukin-1 and its receptor.
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Authors
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G.Scapigliati,
S.Costantini,
G.Colonna,
A.Facchiano,
F.Buonocore,
P.Bossù,
C.Cunningham,
J.W.Holland,
C.J.Secombes.
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Ref.
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Dev Comp Immunol, 2004,
28,
429-441.
[DOI no: ]
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PubMed id
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Abstract
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This paper presents original data regarding: the three-dimensional modelling of
rainbow trout (Oncorhynchus mykiss) and sea bass (Dicentrarchus labrax)
IL-1beta, the modelling of trout IL-1 receptor type I (IL-1RI) and the modelling
of trout IL-1beta bound to its receptor. The 3D models of trout and sea bass
IL-1beta molecules were predicted by comparison with those already available of
human and mouse, and, in both cases, a structure consisting of a beta-trefoil
fold was obtained, a motif well conserved during evolution of IL-1beta-related
proteins. Moreover, a model for the rainbow trout IL-1 receptor alone and
complexed with IL-1beta was predicted and compared to the murine model. Both
ligand-receptor complex models were compared with the known crystal structure of
the human IL-1beta/IL-1R complex. A cross-interaction of trout IL-1beta with the
mouse receptor was also simulated. Such analysis and the predicted interaction
energies calculated from the models have helped to explain the different
biological efficacies of mammalian and fish IL-1beta molecules in assays based
on mammalian target cells. The obtained data are discussed on the basis of
evolutionary and applied perspectives.
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