Multiple-Timescale Dynamics of Side-Chain Carboxyl and Carbonyl Groups in Proteins by C-13 Nuclear Spin Relaxation

Raphael Paquin; Fabien Ferrage; Frans A. A. Mulder; Mikael Akke; Geoffrey Bodenhausen

doi:10.1021/ja803794g

Multiple-Timescale Dynamics of Side-Chain Carboxyl and Carbonyl Groups in Proteins by C-13 Nuclear Spin Relaxation

Raphael Paquin, Fabien Ferrage^*, Frans A. A. Mulder, Mikael Akke, Geoffrey Bodenhausen

^*Corresponding author for this work

Molecular Dynamics

Research output: Contribution to journal › Article › Academic › peer-review

37 Citations (Scopus)

Abstract

Side-chain carboxyl and carbonyl groups play a major role in protein interactions and enzyme catalysis. A series of C-13 relaxation experiments is introduced to study the dynamics of carboxyl and carbonyl groups in protein side chains on both fast (sub-ns) and slower (mu s-ms) time scales. This approach is illustrated on the protein calbindin D-9k. Fast dynamics features correlate with hydrogen- and ion-binding patterns. We also identify chemical dynamics on mu s time scales in solvent-exposed carboxyl groups, most probably due to exchange between the carboxylate and carboxylic acid forms.

Original language	English
Pages (from-to)	15805-15807
Number of pages	4
Journal	Journal of the American Chemical Society
Volume	130
Issue number	47
DOIs	https://doi.org/10.1021/ja803794g
Publication status	Published - 26-Nov-2008

Keywords

ROTATING-FRAME RELAXATION
DISPERSION NMR-SPECTROSCOPY
TIME-SCALE DYNAMICS
BACKBONE DYNAMICS
CROSS-CORRELATION
TRANSVERSE RELAXATION
CALBINDIN D-9K
CAVITY MUTANT
T4 LYSOZYME
RESIDUES

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title = "Multiple-Timescale Dynamics of Side-Chain Carboxyl and Carbonyl Groups in Proteins by C-13 Nuclear Spin Relaxation",

abstract = "Side-chain carboxyl and carbonyl groups play a major role in protein interactions and enzyme catalysis. A series of C-13 relaxation experiments is introduced to study the dynamics of carboxyl and carbonyl groups in protein side chains on both fast (sub-ns) and slower (mu s-ms) time scales. This approach is illustrated on the protein calbindin D-9k. Fast dynamics features correlate with hydrogen- and ion-binding patterns. We also identify chemical dynamics on mu s time scales in solvent-exposed carboxyl groups, most probably due to exchange between the carboxylate and carboxylic acid forms.",

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author = "Raphael Paquin and Fabien Ferrage and Mulder, {Frans A. A.} and Mikael Akke and Geoffrey Bodenhausen",

year = "2008",

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doi = "10.1021/ja803794g",

language = "English",

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T1 - Multiple-Timescale Dynamics of Side-Chain Carboxyl and Carbonyl Groups in Proteins by C-13 Nuclear Spin Relaxation

AU - Paquin, Raphael

AU - Ferrage, Fabien

AU - Mulder, Frans A. A.

AU - Akke, Mikael

AU - Bodenhausen, Geoffrey

PY - 2008/11/26

Y1 - 2008/11/26

N2 - Side-chain carboxyl and carbonyl groups play a major role in protein interactions and enzyme catalysis. A series of C-13 relaxation experiments is introduced to study the dynamics of carboxyl and carbonyl groups in protein side chains on both fast (sub-ns) and slower (mu s-ms) time scales. This approach is illustrated on the protein calbindin D-9k. Fast dynamics features correlate with hydrogen- and ion-binding patterns. We also identify chemical dynamics on mu s time scales in solvent-exposed carboxyl groups, most probably due to exchange between the carboxylate and carboxylic acid forms.

AB - Side-chain carboxyl and carbonyl groups play a major role in protein interactions and enzyme catalysis. A series of C-13 relaxation experiments is introduced to study the dynamics of carboxyl and carbonyl groups in protein side chains on both fast (sub-ns) and slower (mu s-ms) time scales. This approach is illustrated on the protein calbindin D-9k. Fast dynamics features correlate with hydrogen- and ion-binding patterns. We also identify chemical dynamics on mu s time scales in solvent-exposed carboxyl groups, most probably due to exchange between the carboxylate and carboxylic acid forms.

KW - ROTATING-FRAME RELAXATION

KW - DISPERSION NMR-SPECTROSCOPY

KW - TIME-SCALE DYNAMICS

KW - BACKBONE DYNAMICS

KW - CROSS-CORRELATION

KW - TRANSVERSE RELAXATION

KW - CALBINDIN D-9K

KW - CAVITY MUTANT

KW - T4 LYSOZYME

KW - RESIDUES

U2 - 10.1021/ja803794g

DO - 10.1021/ja803794g

M3 - Article

SN - 0002-7863

VL - 130

SP - 15805

EP - 15807

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 47

ER -

Multiple-Timescale Dynamics of Side-Chain Carboxyl and Carbonyl Groups in Proteins by C-13 Nuclear Spin Relaxation

Abstract

Keywords

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