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PDBsum entry 2n2m
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Membrane protein
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PDB id
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2n2m
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References listed in PDB file
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Key reference
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Title
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Backbone structure of yersinia pestis ail determined in micelles by nmr-Restrained simulated annealing with implicit membrane solvation.
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Authors
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F.M.Marassi,
Y.Ding,
C.D.Schwieters,
Y.Tian,
Y.Yao.
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Ref.
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J Biomol Nmr, 2015,
63,
59-65.
[DOI no: ]
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PubMed id
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Abstract
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The outer membrane protein Ail (attachment invasion locus) is a virulence factor
of Yersinia pestis that mediates cell invasion, cell attachment and complement
resistance. Here we describe its three-dimensional backbone structure determined
in decyl-phosphocholine (DePC) micelles by NMR spectroscopy. The NMR structure
was calculated using the membrane function of the implicit solvation potential,
eefxPot, which we have developed to facilitate NMR structure calculations in a
physically realistic environment. We show that the eefxPot force field guides
the protein towards its native fold. The resulting structures provide
information about the membrane-embedded global position of Ail, and have higher
accuracy, higher precision and improved conformational properties, compared to
the structures calculated with the standard repulsive potential.
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