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Figure 2.
125-2H binds human IL-18 residue Leu^180 in a deep pocket,
trapping 10 water molecules. a, overview of the complex. The
antibody engages the primary (Leu^180) and secondary (Pro^143)
IL-18 loops. IL-18 is colored as a rainbow, from the NH[2] to
the COOH terminus; CDRs 1, 2, and 3 of the 125-2H Fab fragment
(purple, heavy chain; pink, light chain) are colored orange,
yellow, and green, with the heavy chain in darker tones. The
solvent-inaccessible, water-filled cavity trapped between 125-2H
Fab and IL-18 is shown (brown dots). b, the center of the
combining site, viewed from the perspective of IL-18 (gray).
Note the deep hydrophobic pocket, formed by heavy and light
chain Tyr and Leu residues, that binds Leu^180. c, the periphery
of the combining site is ringed by charge-charge and hydrogen
bonding interactions involving all six 125-2H CDRs. d,
stereoview illustrating the large cavity (brown dots) formed
between the IL-18 primary and secondary loops and the 125-2H
CDRs, trapping 10 well ordered water molecules. The detailed
hydrogen bond interactions are shown in supplemental Fig. 2.
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