MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography

Clabbers, Max T. B.; Holmes, Susannah; Muusse, Timothy W.; Vajjhala, Parimala R.; Thygesen, Sara J.; Malde, Alpeshkumar K.; Hunter, Dominic J. B.; Croll, Tristan I.; Flueckiger, Leonie; Nanson, Jeffrey D.; Rahaman, Md. Habibur; Aquila, Andrew; Hunter, Mark S.; Liang, Mengning; Yoon, Chun Hong; Zhao, Jingjing; Zatsepin, Nadia A.; Abbey, Brian; Sierecki, Emma; Gambin, Yann; Stacey, Katryn J.; Darmanin, Connie; Kobe, Bostjan; Xu, Hongyi; Ve, Thomas

doi:10.1038/s41467-021-22590-6

MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography

Journal Article · Mon May 10 00:00:00 EDT 2021 · Nature Communications

DOI:https://doi.org/10.1038/s41467-021-22590-6· OSTI ID:1819837

^[1]; Holmes, Susannah ^[2]; ^[3]; Vajjhala, Parimala R. ^[3]; Thygesen, Sara J. ^[3]; ^[4]; Hunter, Dominic J. B. ^[5]; Croll, Tristan I. ^[6]; Flueckiger, Leonie ^[2]; ^[3]; Rahaman, Md. Habibur ^[3]; ^[7]; ^[7]; Liang, Mengning ^[7]; Yoon, Chun Hong ^[7]; ^[8]; ^[2]; ^[2]; ^[9]; Gambin, Yann ^[9] more »

Univ. of California, Los Angeles, CA (United States); Stockholm Univ. (Sweden)
La Trobe Univ., Melbourne, VIC (Australia)
Univ. of Queensland, Brisbane, QLD (Australia)
Griffith Univ., Queensland (Australia)
Univ. of Queensland, Brisbane, QLD (Australia); Univ. of New South Wales, Kensington, NSW (Australia)
Univ. of Cambridge (United Kingdom)
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Stockholm Univ. (Sweden)
Univ. of New South Wales, Kensington, NSW (Australia)

MyD88 and MAL are Toll-like receptor (TLR) adaptors that signal to induce pro-inflammatory cytokine production. We previously observed that the TIR domain of MAL (MAL^TIR) forms filaments in vitro and induces formation of crystalline higher-order assemblies of the MyD88 TIR domain (MyD88^TIR). These crystals are too small for conventional X-ray crystallography, but are ideally suited to structure determination by microcrystal electron diffraction (MicroED) and serial femtosecond crystallography (SFX). Here, we present MicroED and SFX structures of the MyD88^TIR assembly, which reveal a two-stranded higher-order assembly arrangement of TIR domains analogous to that seen previously for MAL^TIR. We demonstrate via mutagenesis that the MyD88^TIR assembly interfaces are critical for TLR4 signaling in vivo, and we show that MAL promotes unidirectional assembly of MyD88^TIR. Collectively, our studies provide structural and mechanistic insight into TLR signal transduction and allow a direct comparison of the MicroED and SFX techniques.

View Accepted Manuscript (DOE)

Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-76SF00515

OSTI ID:: 1819837

Journal Information:: Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 12; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography

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