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PDBsum entry 1ncy
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Calcium-binding protein
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PDB id
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1ncy
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Contents |
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* Residue conservation analysis
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DOI no:
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Acta Crystallogr D Biol Crystallogr
52:916-922
(1996)
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PubMed id:
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X-ray structures of Mn, Cd and Tb metal complexes of troponin C.
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S.T.Rao,
K.A.Satyshur,
M.L.Greaser,
M.Sundaralingam.
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ABSTRACT
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The crystal structures of three metal complexes of troponin C (TnC) have been
determined and refined where the two occupied structural Ca(2+) sites in the C
domain have been substituted by Mn(2+), Cd(2+) and Tb(3+). The X-ray intensity
data were collected to 2.1, 1.8 and 1.8 A resolution, respectively, on the three
metal complexes, which are isomorphous with Ca-TnC. The three complexes have
r.m.s. deviations of 0.27, 0.25 and 0.35 A, respectively, for all protein atoms,
from Ca-TnC. Irrespective of the charge on the metal (+2 or +3), the occupied
sites 3 and 4 exhibit a distorted pentagonal bipyramidal coordination, like
Ca-TnC, with seven ligands, six from the 12-residue binding loop and the seventh
from a water molecule. Mn(2+) at site 4 seems to display a longer distance to
one of the carboxyl bidentate ligands representing an intermediate coordination
simulating the six-coordinate Mg(2+). The carboxyl O atoms of the bidentate
Glu12 are displaced on the side of the equatorial plane passing through the
remaining three ligands with one O atom closer to the plane (Delta of 0.11 to
0.76 A) than the other (Delta of 0.93 to 1.38 A). The two axial ligands are an
aspartic carboxyl O atom and a water molecule. The metal is displaced (0.18 to
0.56 A) towards the water facing the water channel.
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Selected figure(s)
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Figure 2.
Fig. 2. Stereo figure superposing the seven ligands for site 3 of Cd-TnC on a (a) regular pentagonal biprism and (b) a regular octahedron. For the
polyhedra, a metal-to-ligand distance of 2.4 A was used.
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The above figure is
reprinted
by permission from the IUCr:
Acta Crystallogr D Biol Crystallogr
(1996,
52,
916-922)
copyright 1996.
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Figure was
selected
by an automated process.
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Literature references that cite this PDB file's key reference
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PubMed id
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Reference
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X.C.Su,
and
G.Otting
(2010).
Paramagnetic labelling of proteins and oligonucleotides for NMR.
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J Biomol NMR,
46,
101-112.
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J.J.Yang,
J.Yang,
L.Wei,
O.Zurkiya,
W.Yang,
S.Li,
J.Zou,
Y.Zhou,
A.L.Maniccia,
H.Mao,
F.Zhao,
R.Malchow,
S.Zhao,
J.Johnson,
X.Hu,
E.Krogstad,
and
Z.R.Liu
(2008).
Rational design of protein-based MRI contrast agents.
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J Am Chem Soc,
130,
9260-9267.
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J.O.Schulze,
C.Quedenau,
Y.Roske,
T.Adam,
H.Schüler,
J.Behlke,
A.P.Turnbull,
V.Sievert,
C.Scheich,
U.Mueller,
U.Heinemann,
and
K.Büssow
(2008).
Structural and functional characterization of human Iba proteins.
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FEBS J,
275,
4627-4640.
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PDB codes:
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L.L.Clainche,
M.Figuet,
V.Montjardet-Bas,
S.Blanchard,
and
C.Vita
(2006).
Modulating the affinity and the selectivity of engineered calmodulin EF-Hand peptides for lanthanides.
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Biotechnol Bioeng,
95,
29-36.
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The most recent references are shown first.
Citation data come partly from CiteXplore and partly
from an automated harvesting procedure. Note that this is likely to be
only a partial list as not all journals are covered by
either method. However, we are continually building up the citation data
so more and more references will be included with time.
Where a reference describes a PDB structure, the PDB
codes are
shown on the right.
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Links
