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PDBsum entry 2e56
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Lipid binding protein
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PDB id
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2e56
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References listed in PDB file
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Key reference
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Title
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Crystal structures of human md-2 and its complex with antiendotoxic lipid iva.
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Authors
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U.Ohto,
K.Fukase,
K.Miyake,
Y.Satow.
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Ref.
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Science, 2007,
316,
1632-1634.
[DOI no: ]
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PubMed id
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Abstract
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Endotoxic lipopolysaccharide (LPS) with potent immunostimulatory activity is
recognized by the receptor complex of MD-2 and Toll-like receptor 4. Crystal
structures of human MD-2 and its complex with the antiendotoxic tetra-acylated
lipid A core of LPS have been determined at 2.0 and 2.2 angstrom resolutions,
respectively. MD-2 shows a deep hydrophobic cavity sandwiched by two beta
sheets, in which four acyl chains of the ligand are fully confined. The
phosphorylated glucosamine moieties are located at the entrance to the cavity.
These structures suggest that MD-2 plays a principal role in endotoxin
recognition and provide a basis for antiseptic drug development.
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Figure 2.
Fig. 2. Stereo ribbon model of human MD-2 in complex with lipid
IVa. The N terminus is drawn in blue and the C terminus in red.
The ß strands are indicated with their labels, and some
amino acid residue numbers are shown. Bound lipid IVa and NAGs
as well as cysteine residues are drawn as ball-and-stick models.
The two ß sheets are inclined toward each other by about
45°.
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Figure 4.
Fig. 4. Binding pocket and surface properties of MD-2. MD-2 is
viewed from a 90° rotation with respect to Fig. 2, and
residues of interest are indicated. (A) Protein surface showing
hydrophobic and hydrophilic properties. The lipid IVa structure
is removed from the complexed structure. Green and red represent
hydrophobicity and hydrophilicity, respectively, and the extent
is indicated by color darkness. (B) Electrostatic potential
surface. Positive and negative potentials are shown in blue and
red, respectively. Bound lipid IVa is drawn as a ball-and-stick
representation: O in red, N in blue, C in yellow, and P in green.
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The above figures are
reprinted
by permission from the AAAs:
Science
(2007,
316,
1632-1634)
copyright 2007.
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