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Assembly and stability of Salmonella enterica ser. Typhi TolC protein in POPE and DMPE.
[typhoid]
In
this
work
we
assessed
the
suitability
of
two
different
lipid
membranes
for
the
simulation
of
a
TolC
protein
from
Salmonella
enterica
serovar
Typhi
.
The
TolC
protein
family
is
found
in
many
pathogenic
Gram
-negative
bacteria
including
Vibrio
cholera
and
Pseudomonas
aeruginosa
and
acts
as
an
outer
membrane
channel
for
expulsion
of
drug
and
toxin
from
the
cell
.
In
S
.
typhi
,
the
causative
agent
for
typhoid
fever
,
the
TolC
outer
membrane
protein
is
an
antigen
for
the
pathogen
.
The
lipid
environment
is
an
important
modulator
of
membrane
protein
structure
and
function
.
We
evaluated
the
conformation
of
the
TolC
protein
in
the
presence
of
DMPE
and
POPE
bilayers
using
molecular
dynamics
simulation
.
The
S
.
typhi
TolC
protein
exhibited
similar
conformational
dynamics
to
TolC
and
its
homologues
.
Conformational
flexibility
of
the
protein
is
seen
in
the
C-
terminal
,
extracellular
loops
,
and
α-helical
region
.
Despite
differences
in
the
two
lipids
,
significant
similarities
in
the
motion
of
the
protein
in
POPE
and
DMPE
were
observed
,
including
the
rotational
motion
of
the
C-
terminal
residues
and
the
partially
open
extracellular
loops
.
However
,
analysis
of
the
trajectories
demonstrated
effects
of
hydrophobic
matching
of
the
TolC
protein
in
the
membrane
,
particularly
in
the
lengthening
of
the
lipids
and
subtle
movements
of
the
protein
's
β-barrel
towards
the
lower
leaflet
in
DMPE
.
The
study
exhibited
the
use
of
molecular
dynamics
simulation
in
revealing
the
differential
effect
of
membrane
proteins
and
lipids
on
each
other
.
In
this
study
,
POPE
is
potentially
a
more
suitable
model
for
future
simulation
of
the
S
.
typhi
TolC
protein
.
Diseases
Validation
Diseases presenting
"fever"
symptom
22q11.2 deletion syndrome
acute rheumatic fever
alexander disease
allergic bronchopulmonary aspergillosis
canavan disease
carcinoma of the gallbladder
child syndrome
congenital toxoplasmosis
cushing syndrome
cystinuria
dracunculiasis
erdheim-chester disease
esophageal adenocarcinoma
esophageal carcinoma
familial mediterranean fever
focal myositis
hodgkin lymphoma, classical
lamellar ichthyosis
legionellosis
locked-in syndrome
malignant atrophic papulosis
neonatal adrenoleukodystrophy
neuralgic amyotrophy
oculocutaneous albinism
papillon-lefèvre syndrome
pyomyositis
pyruvate dehydrogenase deficiency
scrub typhus
severe combined immunodeficiency
sneddon syndrome
systemic capillary leak syndrome
triple a syndrome
typhoid
waldenström macroglobulinemia
wolf-hirschhorn syndrome
This symptom has already been validated