6DL8

Crystal Structure of an influenza A hemagglutinin antibody Fab variant CH67:1203d4 chimera

Summary for 6DL8

• Entry DOI: 10.2210/pdb6dl8/pdb
• Descriptor: CH67:1203d4 FAB light chain, Ch67:1203d4 FAB heavy chain (2 entities in total)
• Functional Keywords: influenza a, hemagglutinin, antibody, antibody design, rosetta, immune system
• Biological source: Homo sapiens; More
• Total number of polymer chains: 4
• Total formula weight: 94733.24

Authors

Dong, J.,Finn, J.A.,Crowe, J.E. (deposition date: 2018-05-31, release date: 2019-06-05, Last modification date: 2023-10-11)

Primary citation

Finn, J.A.,Dong, J.,Sevy, A.M.,Parrish, E.,Gilchuk, I.,Nargi, R.,Scarlett-Jones, M.,Reichard, W.,Bombardi, R.,Voss, T.G.,Meiler, J.,Crowe Jr., J.E.
Identification of Structurally Related Antibodies in Antibody Sequence Databases Using Rosetta-Derived Position-Specific Scoring.
Structure, 28:1124-1130.e5, 2020

PubMed Abstract: The amount of antibody (Ab) variable gene sequence information is expanding rapidly, but our ability to predict the function of Abs from sequence alone is limited. Here, we describe a sequence-to-function prediction method that couples structural data for a single Ab/antigen (Ag) complex with repertoire data. We used a position-specific structure-scoring matrix (P3SM) incorporating structure-prediction scores from Rosetta to identify Ab variable loops that have predicted structural similarity to the influenza virus-specific human Ab CH65. The P3SM approach identified new members of this Ab class. Recombinant Ab expression, crystallography, and virus inhibition assays showed that the HCDR3 loops of the newly identified Abs possessed similar structure and antiviral activity as the comparator CH65. This approach enables discovery of new human Abs with desired structure and function using cDNA repertoires that are obtained readily with current amplicon sequencing techniques.

PubMed: 32783953
DOI: 10.1016/j.str.2020.07.012

Experimental method

X-RAY DIFFRACTION (3.805 Å)