5bmf
Crystal Structure of a Theophylline binding antibody Fab fragmentCrystal Structure of a Theophylline binding antibody Fab fragment
Structural highlights
Publication Abstract from PubMedKnowledge of the three-dimensional structure of the antigen-binding region of antibodies enables numerous useful applications regarding the design and development of antibody-based drugs. We present a knowledge-based antibody structure prediction methodology that incorporates concepts that have arisen from an applied antibody engineering environment. The protocol exploits the rich and continuously growing supply of experimentally derived antibody structures available to predict CDR loop conformations and the packing of heavy and light chain quickly and without user intervention. The homology models are refined by a novel antibody-specific approach to adapt and rearrange sidechains based on their chemical environment. The method achieves very competitive all-atom root mean square deviation values in the order of 1.5 A on different evaluation datasets consisting of both known and previously unpublished antibody crystal structures. MoFvAb: modeling the Fv region of antibodies.,Bujotzek A, Fuchs A, Qu C, Benz J, Klostermann S, Antes I, Georges G MAbs. 2015 Jul 15:0. PMID:26176812[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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