Understanding the structural dynamics of TCR-pMHC complex interactions

Research output: Contribution to journalArticleResearchpeer-review

22 Citations (Scopus)

Abstract

Dynamics plays an important but underappreciated role in the interaction between the T cell receptor (TCR) and peptide-bound major histocompatibility complex (pMHC). Crystallographic studies have provided key molecular insights into this interaction; however, due to inherent features of the structural approach, the image of TCR-pMHC interactions that has emerged is a static one. In this review, we discuss how molecular dynamics (MD) simulations can complement and extend current experimental methods aimed at examining TCR-pMHC dynamics. We review the insights obtained from studies that leverage MD approaches, and propose that an integrative strategy that harnesses both MD simulations and structural and biophysical methods will provide new inroads into understanding the transitory and dynamic molecular events that dictate TCR signaling and T cell activation.
Original languageEnglish
Pages (from-to)604 - 612
Number of pages9
JournalTrends in Immunology
Volume35
Issue number12
DOIs
Publication statusPublished - 2014

Cite this

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title = "Understanding the structural dynamics of TCR-pMHC complex interactions",
abstract = "Dynamics plays an important but underappreciated role in the interaction between the T cell receptor (TCR) and peptide-bound major histocompatibility complex (pMHC). Crystallographic studies have provided key molecular insights into this interaction; however, due to inherent features of the structural approach, the image of TCR-pMHC interactions that has emerged is a static one. In this review, we discuss how molecular dynamics (MD) simulations can complement and extend current experimental methods aimed at examining TCR-pMHC dynamics. We review the insights obtained from studies that leverage MD approaches, and propose that an integrative strategy that harnesses both MD simulations and structural and biophysical methods will provide new inroads into understanding the transitory and dynamic molecular events that dictate TCR signaling and T cell activation.",
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Understanding the structural dynamics of TCR-pMHC complex interactions. / Kass, Itamar; Buckle, Ashley M; Borg, Natalie A.

In: Trends in Immunology, Vol. 35, No. 12, 2014, p. 604 - 612.

Research output: Contribution to journalArticleResearchpeer-review

TY - JOUR

T1 - Understanding the structural dynamics of TCR-pMHC complex interactions

AU - Kass, Itamar

AU - Buckle, Ashley M

AU - Borg, Natalie A

PY - 2014

Y1 - 2014

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AB - Dynamics plays an important but underappreciated role in the interaction between the T cell receptor (TCR) and peptide-bound major histocompatibility complex (pMHC). Crystallographic studies have provided key molecular insights into this interaction; however, due to inherent features of the structural approach, the image of TCR-pMHC interactions that has emerged is a static one. In this review, we discuss how molecular dynamics (MD) simulations can complement and extend current experimental methods aimed at examining TCR-pMHC dynamics. We review the insights obtained from studies that leverage MD approaches, and propose that an integrative strategy that harnesses both MD simulations and structural and biophysical methods will provide new inroads into understanding the transitory and dynamic molecular events that dictate TCR signaling and T cell activation.

UR - http://www.sciencedirect.com/science/article/pii/S1471490614001902

U2 - 10.1016/j.it.2014.10.005

DO - 10.1016/j.it.2014.10.005

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SP - 604

EP - 612

JO - Trends in Immunology

JF - Trends in Immunology

SN - 1471-4906

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