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PDBsum entry 2jdk
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References listed in PDB file
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Key reference
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Title
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X-Ray structures and thermodynamics of the interaction of pa-Iil from pseudomonas aeruginosa with disaccharide derivatives.
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Authors
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K.Marotte,
C.Sabin,
C.Préville,
M.Moumé-Pymbock,
M.Wimmerová,
E.P.Mitchell,
A.Imberty,
R.Roy.
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Ref.
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Chemmedchem, 2007,
2,
1328-1338.
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PubMed id
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Abstract
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Pseudomonas aeruginosa is an opportunistic bacterium showing increasing
resistance to antibiotics and consequently represents elevated threatening
problems in hospital environments, particularly for cystic fibrosis patients.
The use of glycomimetics as an anti-adhesive strategy against microorganisms may
complement the use of antibiotics. PA-IIL lectin (LecB) from P. aeruginosa
constitutes an appealing target for antibacterial agents, as it has been
proposed to play a key role in binding to airway epithelia and/or to be involved
in biofilm formation. The lectin has an unusually high affinity for L-fucose and
related oligosaccharides. In the work presented herein, the disaccharide
alphaFuc1-4GlcNAc is used as a scaffold toward the synthesis of a series of
glycomimetic derivatives. Microcalorimetry and structural studies indicate that
several of the derivatives are potent inhibitors of the lectin, with affinity in
the same range as the best known natural ligand, Lewis a, and could represent
interesting leads for the development of future antibacterial compounds.
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Secondary reference #1
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Title
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Structural basis for oligosaccharide-Mediated adhesion of pseudomonas aeruginosa in the lungs of cystic fibrosis patients.
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Authors
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E.Mitchell,
C.Houles,
D.Sudakevitz,
M.Wimmerova,
C.Gautier,
S.Pérez,
A.M.Wu,
N.Gilboa-Garber,
A.Imberty.
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Ref.
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Nat Struct Biol, 2002,
9,
918-921.
[DOI no: ]
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PubMed id
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Figure 1.
Figure 1. Structure of the PA-IIL -fucose complex. Stick
representation of fucose and calcium ions as space-filling
models. a, Monomer of PA-IIL with numbering of  -strands
according to the greek-key motif (strands 1 -5). b, Dimer with
chain A in blue and chain B in green. c, Two perpendicular views
of the tetramer consisting of the asymmetric unit.
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Figure 2.
Figure 2. Interactions of PA-IIL with calcium ions and fucose.
a, Stick representation of the amino acids involved in binding.
Ca^2+ coordination bonds are shown as solid orange lines;
hydrogen bonds, as dashed green lines. Color coding is red,
oxygen; blue, nitrogen; black, carbon; and pink, Ca^2+. b,
Electrostatic surface representation (color coding from violet
for negative to orange for positive) of the PA-IIL-binding site
with Ca^2+ (large pink spheres) and fucose (stick model). c,
Stereo view of the final 2F[o] - F[c] electron density map
around the fucose molecule bound to subunit A. The density is
contoured at 1.0  .
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The above figures are
reproduced from the cited reference
with permission from Macmillan Publishers Ltd
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