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PDBsum entry 1j1x
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Immune system/hydrolase
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PDB id
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1j1x
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Contents |
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107 a.a.
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114 a.a.
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129 a.a.
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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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The role of hydrogen bonding via interfacial water molecules in antigen-Antibody complexation. The hyhel-10-Hel interaction.
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Authors
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A.Yokota,
K.Tsumoto,
M.Shiroishi,
H.Kondo,
I.Kumagai.
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Ref.
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J Biol Chem, 2003,
278,
5410-5418.
[DOI no: ]
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PubMed id
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Abstract
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To study the role of hydrogen bonding via interfacial water molecules in
protein-protein interactions, we examined the interaction between hen egg white
lysozyme (HEL) and its HyHEL-10 variable domain fragment (Fv) antibody. We
constructed three antibody mutants (l-Y50F, l-S91A, and l-S93A) and investigated
the interactions between the mutant Fvs and HEL. Isothermal titration
calorimetry indicated that the mutations significantly decreased the negative
enthalpy change (8-25 kJ mol(-1)), despite some offset by a favorable entropy
change. X-ray crystallography demonstrated that the complexes had nearly
identical structures, including the positions of the interfacial water
molecules. Taken together, the isothermal titration calorimetric and x-ray
crystallographic results indicate that hydrogen bonding via interfacial water
enthalpically contributes to the Fv-HEL interaction despite the partial offset
because of entropy loss, suggesting that hydrogen bonding stiffens the
antigen-antibody complex.
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Figure 1.
Fig. 1. Hydrogen bonding via interfacial water molecules
at the HyHEL-10 Fv-HEL interface. C  stick
diagram of the wild-type Fv-HEL complex. VL, green; VH, sky
blue; HEL, pink. The residues investigated in this report are
drawn in blue. A, overall structure. B, local structures around
the target sites. Generated with WebLab Viewer (Molecular
Simulations Inc., San Diego, CA). The antibody residues are
numbered according to Kabat et al. (75).
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Figure 6.
Fig. 6. Comparison of local structures in the LY50F-HEL
and WT-HEL complexes. Region around the mutated site (50 of VL).
Hydrogen bonds made by water molecules are depicted as dotted
lines. The positions marked W correspond to the water molecules
(parentheses indicate wild-type water molecules). L-Y50F
antibody VL chain, sky blue; VH chain, green; HEL, pink; water,
red; WT-HEL complex, gray.
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The above figures are
reprinted
by permission from the ASBMB:
J Biol Chem
(2003,
278,
5410-5418)
copyright 2003.
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