Sequence-specific backbone resonance assignments and microsecond timescale molecular dynamics simulation of human eosinophil-derived neurotoxin

Gagné, Donald; Narayanan, Chitra; Bafna, Khushboo; Charest, Laurie-Anne; Agarwal, Pratul K.; Doucet, Nicolas

doi:10.1007/s12104-017-9736-9

Sequence-specific backbone resonance assignments and microsecond timescale molecular dynamics simulation of human eosinophil-derived neurotoxin

Journal Article · Tue Mar 07 00:00:00 EST 2017 · Biomolecular NMR Assignments

DOI:https://doi.org/10.1007/s12104-017-9736-9· OSTI ID:1842643

Gagné, Donald ^[1]; Narayanan, Chitra ^[1]; Bafna, Khushboo ^[2]; Charest, Laurie-Anne ^[1]; ^[3]; ^[4]

Univ. du Quebec, Laval, QC (Canada). INRS-Inst. Armand-Frappier
Univ. of Tennessee, Knoxville, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computational Biology Inst.; Univ. of Tennessee, Knoxville, TN (United States)
Univ. du Quebec, Laval, QC (Canada). INRS-Inst. Armand-Frappier; Univ. Laval, QC (Canada). the Québec Network for Research on Protein Function, Engineering, and Applications (PROTEO); McGill Univ., Montreal, QC (Canada). the Groupe de Recherche Axé sur la Structure des Protéines (GRASP

Eight active canonical members of the pancreatic-like ribonuclease A (RNase A) superfamily have been identified in human. All structural homologs share similar RNA-degrading functions, while also cumulating other various biological activities in different tissues. Additionally, the functional homologs eosinophil-derived neurotoxin (EDN, or RNase 2) and eosinophil cationic protein (ECP, or RNase 3) are known to be expressed and secreted by eosinophils in response to infection, and have thus been postulated to play an important role in host defense and inflammatory response. We recently initiated the biophysical and dynamical investigation of several vertebrate RNase homologs and observed that clustering residue dynamics appear to be linked with the phylogeny and biological specificity of several members. Here we report the ¹H, ¹³C and ¹⁵N backbone resonance assignments of human EDN (RNase 2) and its molecular dynamics simulation on the microsecond timescale, providing means to pursue this comparative atomic-scale functional and dynamical analysis by NMR and computation over multiple time frames.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: NERSC; National Institutes of Health (NIH); USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1842643

Journal Information:: Biomolecular NMR Assignments, Journal Name: Biomolecular NMR Assignments Journal Issue: 2 Vol. 11; ISSN 1874-270X; ISSN 1874-2718

Publisher:: SpringerCopyright Statement

Country of Publication:: United States

Language:: English

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