Báo cáo khoa học: Structural and thermodynamic insights into the binding mode of five novel inhibitors of lumazine synthase from Mycobacterium tuberculosis pptx
... range. The analysis of the struc-
tures demonstrated the specific features of the binding of different inhibi-
tors. The comparison of the structures and binding modes of five different
inhibitors ... for comparison of binding
affinities of the inhibitors under study.
The fitting of the binding isotherms of all five com-
pounds with a bind...
... advantages of both EcAII and ErA.
To gain further insights into EwA and to assess its
suitability as a drug candidate, we have determined the
crystal structure of the enzyme in the presence of Asp
and ... any of the eight individual monomers, due to the
lack of sufficient electron density. The Ramachandran
plot showed 89.2% of the non-Gly and non-Pro resi-...
... atoms,
whereas the side chain of Lys173 interacts with both
O6 and N7 (Fig. 1C). The 2¢OH of the ribose is hydro-
gen bonded to the main chain and the side chain of
Asp142 (Fig. 1C). Both hydroxyl groups of ... hypoxanthine and guanine is only 0.26% and
0.09%, respectively, of the activity of HPRT, the role
of the PRTFDC1 in purine metabolism remains
uncl...
... interaction between the FMN subdomain
and the FNR subdomain, although some may also
influence the rate of electron import into the FMN sub-
domain and the resulting formation of FMNH
2
. The
extent to ... hinge domains
The composition of the two hinges that connect the
FMN subdomain in NOS enzymes (H1 and H2 in
Fig. 5) defines the allowable movements of the...
... Klinman and cowork-
ers to study the viscosity dependence of the rate of
hydride transfer in GO [70,71]. These authors studied
various glycoforms of the enzyme (varying in the
extent of glycosylation) ... Stopped-flow traces of the observed FMN reduction during
the reaction of the wild-type (wt) and N189A mutant of MR with
NADH. The wt trace is fit to a single...
... orientation
of the N5 of the flavin, the hydride to be transferred,
and C4 of the nicotinamide. In FNR, displacement
of the C-terminal Tyr appears to be required for the
interaction to occur [117,118]. The ... because the semiquinone H-bond with the CO
of Asn is weaker than the bond formed with the sma-
ller Gly, and because of the presence in the oxid...
... indicate the starting and
ending residues of the secondary structural elements. (C) The
domain-swapped dimer of St SurE. The A and B subunits are
shown in green and blue, respectively. The darker and ... change from a ‘closed’ to an
‘open’ form. The shift in the position of the loop away
from the metal ion leads to the formation of two inter-
protomer...
... bonds,
one from 2¢-OH to the side chain of Asp70, and one
from the backbone N of Gly63, and the phosphate
group forming hydrogen bonds from O1 to Arg55,
from O2 to the backbone N and the side chain of
Thr138, ... E. coli. The probable binding
motif for the uracil base is through hydrogen bonds
from N3 to the backbone O of Phe133, and from O4
to t...
... the K
d
for the initial bind-
ing of minifiber. The fluorescence emission of the TMR
was assumed to be independent of the binding of the
minifiber to the penton base, because it is attached at
the ... investigate the possibility of coupling
between the conformation of the hypervariable loop,
which contains the integrin -binding site, and the fiber-
bind...
... lymphoid cell infiltrates of the lung and fibro-
sis in the liver [110].
Conclusions
The novel members, PDGF-C and -D, of the PDGF
subfamily of the cystine knot family of growth factors
are potent ... removal of the CUB
domains and thereby activation of the growth factor
domains. PDGF-C and -D contain both the CUB and
growth factor domains when they are s...