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PDBsum entry 12e8

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Immunoglobulin PDB id
12e8
Contents
Protein chains
214 a.a. *
221 a.a. *
Waters ×767
* Residue conservation analysis

References listed in PDB file
Key reference
Title Structure of a monoclonal 2e8 FAB antibody fragment specific for the low-Density lipoprotein-Receptor binding region of apolipoprotein e refined at 1.9 a.
Authors S.Trakhanov, S.Parkin, R.Raffaï, R.Milne, Y.M.Newhouse, K.H.Weisgraber, B.Rupp.
Ref. Acta Crystallogr D Biol Crystallogr, 1999, 55, 122-128. [DOI no: 10.1107/S090744499800938X]
PubMed id 10089402
Note In the PDB file this reference is annotated as "TO BE PUBLISHED". The citation details given above were identified by an automated search of PubMed on title and author names, giving a percentage match of 0%.
Abstract
The crystal structure of the Fab fragment of 2E8, the monoclonal IgG1,kappa antibody specific for the low-density lipoprotein (LDL) receptor-binding region of apolipoprotein E (apoE), has been solved by molecular replacement and refined at 1.9 A resolution (PDB entry 12E8). Two 2E8 Fab molecules in the asymmetric unit are related by noncrystallographic symmetry and are hydrogen bonded through a beta-sheet-like intermolecular contact between the heavy-chain complementarity-determining regions 3 (CDRH3) of each molecule. The structure has been refined to an R value of 0.22 (Rfree = 0.27). The initially ill-defined heavy-chain constant domain (CH1) of 2E8 has been retraced with the aid of automatic refinement, confirming the beta-sheet tracing independently of any starting models. As a resolution better than 2 A is not common for Fab fragments, this model represents a well defined Fab structure and should prove useful in MR solution of other Fab fragments. Furthermore, in the absence of an LDL-receptor structure, the homology of the 2E8 CDRH2 to the ligand-binding domain of the LDL receptor has been exploited to model the apoE-LDL-receptor interaction.
Figure 1.
Figure 1 Native Patterson map created by XtalView (McRee, 1992[McRee, D. E. (1992). J. Mol. Graph. 10, 44-46.]) showing the strong Harker peak indicative of an NCS axis parallel to the crystallographic 2[1] screw axis.
Figure 4.
Figure 4 Ribbon representation of the topology of the 2E8 Fab dimer. The two light chains (C[L] and V[L]) are red and yellow, respectively, and the two heavy chains (C[H1] and V[H]) are blue and green, respectively. The dimer interface is formed by the complementarity-determining regions. The figure was created with MOLSCRIPT (Kraulis, 1991[Kraulis, P. J. (1991). J. Appl. Cryst. 24, 946-950.]).
The above figures are reprinted by permission from the IUCr: Acta Crystallogr D Biol Crystallogr (1999, 55, 122-128) copyright 1999.
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