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Deciphering evolution of immune recognition in antibodies
Harmeet Kaur1,2, Neetu Sain3, Debasisa Mohanty3
1Regional Centre for Biotechnology, Biotech Science Cluster, Faridabad, Haryana, 121001, India.
BMC Structural Biology
|December 20, 2018
Summary
Antibodies mature through distinct pathways, adapting their structure to recognize diverse antigens. This molecular evolution, driven by natural selection, allows a single antibody lineage to bind a wide array of targets.
Area of Science:
- Immunology
- Structural Biology
- Molecular Evolution
Background:
- Antibodies, key immune molecules, mature from precursor to effector forms after antigen exposure.
- Antibody lineages diverge to recognize diverse antigens, yet structural aspects of this diversification remain understudied.
- Understanding how antibody maturation tailors structure for distinct antigen recognition is crucial.
Purpose of the Study:
- To investigate the structural basis of antibody lineage diversification and its role in recognizing diverse antigens.
- To analyze how somatic mutations and conformational changes contribute to an antibody's recognition potential.
- To explore the evolutionary principles governing antibody adaptation to varying antigen landscapes.
Main Methods:
- Compiled a database of global experimental antibody-antigen complex structures from the Protein Data Bank.
- Performed structural analysis of antibody lineages, focusing on complementarity-determining regions (CDRs) of heavy (H) and light (L) chains.
- Utilized molecular dynamics simulations and MM-GB/SA analysis to characterize conformational dynamics and binding energies.
Main Results:
- Structural analysis revealed variations in CDRs across antibody lineages, indicating conformational adaptation.
- Molecular dynamics simulations showed that pathogens induce further conformational divergence in the paratope while maintaining backbone topology.
- Somatic mutations were observed to alter antibody geometries within common structural constraints.
Conclusions:
- Antibody lineages evolve diverse recognition capabilities through antigen-directed pathways, preserving germline imprints.
- Structural diversification of the paratope results from natural selection of conformations optimized for antigen interaction.
- A common antibody lineage can mature to recognize a wide spectrum of antigens, a principle amenable to experimental validation.
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