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PDBsum entry 2wey
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References listed in PDB file
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Key reference
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Title
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Cross-Linking of protein crystals as an aid in the generation of binary protein-Ligand crystal complexes, Exemplified by the human pde10a-Papaverine structure.
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Authors
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O.A.Andersen,
D.L.Schönfeld,
I.Toogood-Johnson,
B.Felicetti,
C.Albrecht,
T.Fryatt,
M.Whittaker,
D.Hallett,
J.Barker.
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Ref.
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Acta Crystallogr D Biol Crystallogr, 2009,
65,
872-874.
[DOI no: ]
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PubMed id
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Abstract
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Protein crystallography has proven to be an effective method of obtaining
high-resolution structures of protein-ligand complexes. However, in certain
cases only apoprotein structures are readily available and the generation of
crystal complexes is more problematic. Some crystallographic systems are not
amenable to soaking of ligands owing to crystal-packing effects and many
protein-ligand complexes do not crystallize under the same conditions as used
for the apoprotein. Using crystals of human phosphodiesterase 10a (hPDE10a) as
an example of such a challenging crystallographic system, the structure of the
complex with papaverine was obtained to 2.8 A resolution using protein crystals
cross-linked by glutaraldehyde prior to soaking of the ligand. Inspection of the
electron-density maps suggested that the correct mode of binding was obtained in
one of the two monomers in the asymmetric unit and inspection of crystal-packing
contacts explained why cocrystallization experiments and soaking of crystals
that were not cross-linked were unsuccessful.
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Figure 1.
Figure 1 Stereo figure of the active site of monomer B in the
hPDE10a-papaverine crystal structure. F[o] - F[c] electron
density is contoured at 2.0  .
Hydrogen-bonding interactions are shown as dotted lines to
Gln726. The protein and papaverine are shown as a stick models
with green and magenta C atoms, respectively. Zinc and magnesium
are shown as purple and red spheres, respectively.
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The above figure is
reprinted
by permission from the IUCr:
Acta Crystallogr D Biol Crystallogr
(2009,
65,
872-874)
copyright 2009.
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