 |
PDBsum entry 1c1e
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Immune system
|
PDB id
|
|
|
|
1c1e
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
Contents |
 |
|
|
|
|
|
|
|
|
|
|
|
|
* Residue conservation analysis
|
|
|
|
|
References listed in PDB file
|
|
|
Key reference
|
|
|
Title
|
|
Evolution of shape complementarity and catalytic efficiency from a primordial antibody template.
|
|
|
Authors
|
|
J.Xu,
Q.Deng,
J.Chen,
K.N.Houk,
J.Bartek,
D.Hilvert,
I.A.Wilson.
|
|
|
Ref.
|
|
Science, 1999,
286,
2345-2348.
[DOI no: ]
|
|
|
PubMed id
|
|
|
|
|
|
Abstract
|
|
|
The crystal structure of an efficient Diels-Alder antibody catalyst at 1.9
angstrom resolution reveals almost perfect shape complementarity with its
transition state analog. Comparison with highly related progesterone and
Diels-Alderase antibodies that arose from the same primordial germ line template
shows the relatively subtle mutational steps that were able to evolve both
structural complementarity and catalytic efficiency.
|
|
|
|
|
|
|
|
Figure 2.
Fig. 2. Electron density for the hapten in the 1E9 binding
pocket. The F[o]  F[c] omit
map contoured at 1.0  level is
shown as a close-up view looking down into the antibody
combining site. The solvent-exposed linker of the hapten is not
shown because of disorder. Figure prepared with QUANTA
[Molecular Simulations Inc. (MSI)].
|
|
Figure 3.
Fig. 3. Comparison of molecular surfaces of the related
antibody combining sites. View is from the top of the binding
site showing the fit of the cognate ligands of 1E9 (A), 39-A11
(15) (B), and DB3 (14) (C). In magenta, under the surface, the
side chains of the ligand-contacting residues of each antibody
are shown. Note the variation of the shape of the binding site
of 1E9 due to the side-chain conformational change in TrpH50
that results from the framework TrpH47  Leu
substitution. Also, the AsnH35 hydrogen bond with a ligand
carbonyl oxygen is conserved in all three antibody combining
sites. Figure prepared with Insight II (MSI).
|
|
|
|
|
|
The above figures are
reprinted
by permission from the AAAs:
Science
(1999,
286,
2345-2348)
copyright 1999.
|
|
|
|
|
|
|
