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. 2019 Nov 26;10:5389. doi: 10.1038/s41467-019-12973-1

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© The Author(s) 2019

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 4 — PGZL1 variant crystal structures and comparison with 4E10. a Superposition of the crystal structures of the mature PGZL1 variable domain (from the Fab) bound to MPER_671-683 (wheat, LC; green, HC; pink, MPER) and unbound PGZL1 (gray). CDRs of the bound structure are shown in red (LC) and green (HC), and CDRs of the unbound structure are shown in black. Inset: superposition of free and bound CDRH3 with residues near the MPER shown as sticks. b Superposition of PGZL1–MPER_671-683 and 4E10-MPER_671-683 (gray; PDB 2FX7 [https://www.rcsb.org/structure/2fx7]¹³). Coloring and inset as in a. c PGZL1–MPER_671-683 combining site (wheat, LC; green, HC; pink, MPER; interacting residues - sticks). Shaded regions highlight aromatic clusters. d 4E10-MPER_671-683 combining site, colored as in c. e Superposition of unbound (blue) and MPER_671-683-bound (gray) H4K3. Ions are shown as sticks. f Superposition of unbound (yellow, CDR loops, brown) and MPER_671-683-bound (gray) PGZL1 gVmDmJ. g CDR loops in bound (gray) and unbound (brown) PGZL1 gVmDmJ with residues that influence loop conformations shown as sticks. h Same region as in g for the mature PGZL1 structure.