UNASSIGNED: ORF 8a is a short 39 @entity535 bitopic membrane protein encoded by severe acute @entity1576 causing @entity778 ( @entity6723 -CoV). It has been identified to increase permeability of the lipid membrane for cations. Permeability is suggested to occur due to the assembly of helical bundles. Computational models of a pentameric assembly of 8a peptides are generated using the first 22 @entity1522 , which include the transmembrane domain. Low energy structures reveal a hydrophilic pore mantled by residues Thr-8, and -18, Ser-11, @entity2569 -13, and @entity534 -22. Potential of mean force (PMF) profiles for mono (Na(+) , K(+) , Cl(-) ) and divalent ( @entity141 ) ions along the pore are calculated. The data support experimental findings of a weak cation selectivity of the channel. Calculations on 8a are compared to data derived for a pentameric bundle consisting of the M2 helices of the bacterial pentameric ligand gated ion channel GLIC (3EHZ). PMF curves of both, bundles 8a and M2, show sigmoidal shaped profiles. In comparison to the data for the M2-GLIC model, data of the 8a bundle show lower amplitude of the PMF values between maximum and minimum and less discrimination amongst ions. Proteins 2014.    2014 Wiley Periodicals, Inc.

Structure based computational assessment of channel properties of assembled ORF-8a from XXXX -CoV.

@entity778 :: ('MESH:D015658', 'Disease') :: ['corona virus'] @entity1522 :: ('CHEBI:33709', 'Chemical') :: ['amino acids'] @entity6723 :: ('227859', 'Species') :: ['SARS'] @entity535 :: ('CHEBI:33704', 'Chemical') :: ['amino acid'] @entity2569 :: ('CHEBI:17561', 'Chemical') :: ['Cys'] @entity534 :: ('CHEBI:16467', 'Chemical') :: ['Arg'] @entity1576 :: ('MESH:D012131', 'Disease') :: ['respiratory syndrome'] @entity141 :: ('CHEBI:29108', 'Chemical') :: ['Ca(2+)']
@entity6723 :: (227859,Species) :: ['SARS']
