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PDBsum entry 1ctr
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Calcium-binding protein
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PDB id
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1ctr
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Contents |
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* Residue conservation analysis
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DOI no:
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Biochemistry
33:15259-15265
(1994)
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PubMed id:
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Drug binding by calmodulin: crystal structure of a calmodulin-trifluoperazine complex.
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W.J.Cook,
L.J.Walter,
M.R.Walter.
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ABSTRACT
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The crystal structure of calmodulin (CaM) bound to trifluoperazine (TFP) has
been determined and refined to a resolution of 2.45 A. Only one TFP is bound to
CaM, but that is sufficient to cause distortion of the central alpha-helix and
juxtaposition of the N- and C-terminal domains similar to that seen in
CaM-polypeptide complexes. The drug makes extensive contacts with residues in
the C-terminal domain of CaM but only a few contacts with one residue in the
N-terminal domain. The structure suggests that substrate binding to the
C-terminal domain is sufficient to cause the conformational changes in
calmodulin that lead to activation of its targets.
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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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J.A.Bartos,
J.D.Ulrich,
H.Li,
M.A.Beazely,
Y.Chen,
J.F.Macdonald,
and
J.W.Hell
(2010).
Postsynaptic clustering and activation of Pyk2 by PSD-95.
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J Neurosci,
30,
449-463.
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M.D.Feldkamp,
S.E.O'Donnell,
L.Yu,
and
M.A.Shea
(2010).
Allosteric effects of the antipsychotic drug trifluoperazine on the energetics of calcium binding by calmodulin.
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Proteins,
78,
2265-2282.
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V.N.Malashkevich,
N.G.Dulyaninova,
U.A.Ramagopal,
M.A.Liriano,
K.M.Varney,
D.Knight,
M.Brenowitz,
D.J.Weber,
S.C.Almo,
and
A.R.Bresnick
(2010).
Phenothiazines inhibit S100A4 function by inducing protein oligomerization.
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Proc Natl Acad Sci U S A,
107,
8605-8610.
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PDB code:
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A.C.Knowles,
R.E.Ferguson,
B.D.Brandmeier,
Y.B.Sun,
D.R.Trentham,
and
M.Irving
(2008).
Orientation of the essential light chain region of myosin in relaxed, active, and rigor muscle.
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Biophys J,
95,
3882-3891.
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S.L.Russell,
N.V.McFerran,
E.M.Hoey,
A.Trudgett,
and
D.J.Timson
(2007).
Characterisation of two calmodulin-like proteins from the liver fluke, Fasciola hepatica.
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Biol Chem,
388,
593-599.
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K.Chen,
J.Ruan,
and
L.A.Kurgan
(2006).
Prediction of three dimensional structure of calmodulin.
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Protein J,
25,
57-70.
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L.Milanesi,
C.A.Hunter,
S.E.Sedelnikova,
and
J.P.Waltho
(2006).
Amplification of bifunctional ligands for calmodulin from a dynamic combinatorial library.
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Chemistry,
12,
1081-1087.
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T.Kaneko,
C.Harasztosi,
A.F.Mack,
and
A.W.Gummer
(2006).
Membrane traffic in outer hair cells of the adult mammalian cochlea.
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Eur J Neurosci,
23,
2712-2722.
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I.Horváth,
V.Harmat,
A.Perczel,
V.Pálfi,
L.Nyitray,
A.Nagy,
E.Hlavanda,
G.Náray-Szabó,
and
J.Ovádi
(2005).
The structure of the complex of calmodulin with KAR-2: a novel mode of binding explains the unique pharmacology of the drug.
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J Biol Chem,
280,
8266-8274.
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PDB code:
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S.J.Watt,
A.Oakley,
M.M.Sheil,
and
J.L.Beck
(2005).
Comparison of negative and positive ion electrospray ionization mass spectra of calmodulin and its complex with trifluoperazine.
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Rapid Commun Mass Spectrom,
19,
2123-2130.
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V.Alexandrov,
U.Lehnert,
N.Echols,
D.Milburn,
D.Engelman,
and
M.Gerstein
(2005).
Normal modes for predicting protein motions: a comprehensive database assessment and associated Web tool.
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Protein Sci,
14,
633-643.
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A.G.Turjanski,
D.A.Estrin,
R.E.Rosenstein,
J.E.McCormick,
S.R.Martin,
A.Pastore,
R.R.Biekofsky,
and
V.Martorana
(2004).
NMR and molecular dynamics studies of the interaction of melatonin with calmodulin.
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Protein Sci,
13,
2925-2938.
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C.M.Shepherd,
and
H.J.Vogel
(2004).
A molecular dynamics study of Ca(2+)-calmodulin: evidence of interdomain coupling and structural collapse on the nanosecond timescale.
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Biophys J,
87,
780-791.
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M.L.Mattinen,
K.Pääkkönen,
T.Ikonen,
J.Craven,
T.Drakenberg,
R.Serimaa,
J.Waltho,
and
A.Annila
(2002).
Quaternary structure built from subunits combining NMR and small-angle x-ray scattering data.
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Biophys J,
83,
1177-1183.
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B.R.Sorensen,
J.T.Eppel,
and
M.A.Shea
(2001).
Paramecium calmodulin mutants defective in ion channel regulation associate with melittin in the absence of calcium but require it for tertiary collapse.
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Biochemistry,
40,
896-903.
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L.L.Olsson,
and
L.Sjölin
(2001).
Structure of Escherichia coli fragment TR2C from calmodulin to 1.7 A resolution.
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Acta Crystallogr D Biol Crystallogr,
57,
664-669.
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PDB code:
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N.Yamaotsu,
M.Suga,
and
S.Hirono
(2001).
Molecular dynamics simulation of the calmodulin-trifluoperazine complex in aqueous solution.
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Biopolymers,
58,
410-421.
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H.Patel,
S.S.Margossian,
and
P.D.Chantler
(2000).
Locking regulatory myosin in the off-state with trifluoperazine.
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J Biol Chem,
275,
4880-4888.
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J.Onions,
S.Hermann,
and
T.Grundström
(2000).
A novel type of calmodulin interaction in the inhibition of basic helix-loop-helix transcription factors.
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Biochemistry,
39,
4366-4374.
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N.Hayashi,
Y.Izumi,
K.Titani,
and
N.Matsushima
(2000).
The binding of myristoylated N-terminal nonapeptide from neuro-specific protein CAP-23/NAP-22 to calmodulin does not induce the globular structure observed for the calmodulin-nonmyristylated peptide complex.
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Protein Sci,
9,
1905-1913.
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O.R.Jaren,
S.Harmon,
A.F.Chen,
and
M.A.Shea
(2000).
Paramecium calmodulin mutants defective in ion channel regulation can bind calcium and undergo calcium-induced conformational switching.
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Biochemistry,
39,
6881-6890.
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Y.Li,
M.L.Love,
J.A.Putkey,
and
C.Cohen
(2000).
Bepridil opens the regulatory N-terminal lobe of cardiac troponin C.
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Proc Natl Acad Sci U S A,
97,
5140-5145.
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PDB code:
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S.J.Lee,
and
J.T.Stull
(1998).
Calmodulin-dependent regulation of inducible and neuronal nitric-oxide synthase.
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J Biol Chem,
273,
27430-27437.
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S.Wang,
W.R.Trumble,
H.Liao,
C.R.Wesson,
A.K.Dunker,
and
C.H.Kang
(1998).
Crystal structure of calsequestrin from rabbit skeletal muscle sarcoplasmic reticulum.
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Nat Struct Biol,
5,
476-483.
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PDB code:
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B.G.Vertessy,
Z.Böcskei,
V.Harmath,
G.Náray-Szabó,
and
J.Ovádi
(1997).
Crystallization and preliminary diffraction analysis of Ca(2+)-calmodulin-drug and apocalmodulin-drug complexes.
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Proteins,
28,
131-134.
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G.D.Lin,
D.Chattopadhyay,
M.Maki,
K.K.Wang,
M.Carson,
L.Jin,
P.W.Yuen,
E.Takano,
M.Hatanaka,
L.J.DeLucas,
and
S.V.Narayana
(1997).
Crystal structure of calcium bound domain VI of calpain at 1.9 A resolution and its role in enzyme assembly, regulation, and inhibitor binding.
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Nat Struct Biol,
4,
539-547.
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PDB codes:
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J.P.Williams,
J.M.McDonald,
M.A.McKenna,
S.E.Jordan,
W.Radding,
and
H.C.Blair
(1997).
Differential effects of tamoxifen-like compounds on osteoclastic bone degradation, H(+)-ATPase activity, calmodulin-dependent cyclic nucleotide phosphodiesterase activity, and calmodulin binding.
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J Cell Biochem,
66,
358-369.
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L.Santella,
and
K.Kyozuka
(1997).
Association of calmodulin with nuclear structures in starfish oocytes and its role in the resumption of meiosis.
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Eur J Biochem,
246,
602-610.
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R.H.Kretsinger
(1997).
EF-hands embrace.
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Nat Struct Biol,
4,
514-516.
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B.R.Sorensen,
and
M.A.Shea
(1996).
Calcium binding decreases the stokes radius of calmodulin and mutants R74A, R90A, and R90G.
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Biophys J,
71,
3407-3420.
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M.A.Kutuzov,
and
N.Bennett
(1996).
Calcium-activated opsin phosphatase activity in retinal rod outer segments.
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Eur J Biochem,
238,
613-622.
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P.Mukherjea,
J.F.Maune,
and
K.Beckingham
(1996).
Interlobe communication in multiple calcium-binding site mutants of Drosophila calmodulin.
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Protein Sci,
5,
468-477.
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Z.Yang,
and
H.L.Sweeney
(1995).
Restoration of phosphorylation-dependent regulation to the skeletal muscle myosin regulatory light chain.
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J Biol Chem,
270,
24646-24649.
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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
code is
shown on the right.
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Links
