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. 2021 Feb 10;95(5):e01620-20. doi: 10.1128/JVI.01620-20

FIG 3.

FIG 3

Contribution of K121 and R419 to the 17b and CCR5 complex interfaces. (A) The 17b gp120 interface. K121 forms a hydrogen bond to the main-chain carbonyl of L54 of 17b’s heavy chain CDR H2 (PDB accession number 1GC1). The aliphatic portion of the K121 side chain packs against the L54 and V56 side chains. The change to D121 removes the hydrogen bond and prevents any favorable side chain interactions. R419 forms salt bridges to E100B and E100D in the third complementarity-determining region of the heavy chain (CDR H3) of 17b. D419 prevents both from occurring. (B) The CCR5 interface. R419 forms a long distant salt bridge (5.8 Å) with TYS10 on CCR5 (PDB accession number 6MET). The mutation to D419 removes this interaction.