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PDBsum entry 1c57
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Sugar binding protein
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PDB id
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1c57
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Contents |
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* Residue conservation analysis
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References listed in PDB file
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Key reference
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Title
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Direct determination of the positions of the deuterium atoms of the bound water in -Concanavalin a by neutron laue crystallography.
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Authors
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J.Habash,
J.Raftery,
R.Nuttall,
H.J.Price,
C.Wilkinson,
A.J.Kalb,
J.R.Helliwell.
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Ref.
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Acta Crystallogr D Biol Crystallogr, 2000,
56,
541-550.
[DOI no: ]
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PubMed id
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Abstract
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The correct positions of the deuterium (D) atoms of many of the bound waters in
the protein concanavalin A are revealed by neutron Laue diffraction. The
approach includes cases where these water D atoms show enough mobility to render
them invisible even to ultra-high resolution synchrotron-radiation X-ray
crystallography. The positions of the bound water H atoms calculated on the
basis of chemical and energetic considerations are often incorrect. The D-atom
positions for the water molecules in the Mn-, Ca- and sugar-binding sites of
concanavalin A are described in detail.
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Figure 1.
Figure 1 A water molecule (number 6 in the PDB file) in stereo
showing the orientation of D[2]O in the nuclear density (at 1.5
 ).
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Figure 2.
Figure 2 The 2F[o] - F[c] neutron-density map (at 1.5 r.m.s.)
in stereo around the Mn coordination sphere of ligands.
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The above figures are
reprinted
by permission from the IUCr:
Acta Crystallogr D Biol Crystallogr
(2000,
56,
541-550)
copyright 2000.
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Secondary reference #1
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Title
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Neutron laue diffraction study of concanavalin a:the proton of asp28
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Authors
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J.Habash,
J.Raftery,
S.Weisgerber,
A.Cassetta,
M.S.Lehmann,
P.Hoghoj,
C.Wilkinson,
J.W.Campbell,
J.R.Helliwell.
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Ref.
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j chem soc ,faraday trans, 1997,
93,
4313.
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Secondary reference #2
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Title
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The structure of concanavalin a and its bound solvent determined with small- Molecule accuracy at 0.94a resolution
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Authors
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A.Deacon,
T.Gleichmann,
A.J.Kalb(gilboa),
H.Price,
J.Raftery,
G.Bradbrook,
J.Yariv,
J.R.Helliwell.
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Ref.
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j chem soc ,faraday trans, 1997,
93,
4305.
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