Intra-residue interactions in proteins: interplay between serine or cysteine side chains and backbone conformations, revealed by laser spectroscopy of isolated model peptides

2015 ◽  
Vol 17 (3) ◽  
pp. 2169-2178 ◽  
Author(s):  
Mohammad Alauddin ◽  
Himansu S. Biswal ◽  
Eric Gloaguen ◽  
Michel Mons
Keyword(s):  
Hydrogen Bond ◽  
Laser Spectroscopy ◽  
Red Shift ◽  
Side Chains ◽  
Model Peptides

The strength of the NH⋯O/S hydrogen bond is monitored from the red-shift of the NH stretch frequency in the 3 μm IR region.

Observation of an Unusually Large IR Red-Shift in an Unconventional S–H···S Hydrogen-Bond

2021 ◽  
Vol 12 (4) ◽  
pp. 1228-1235
Author(s):  
Kamal K. Mishra ◽  
Kshetrimayum Borish ◽  
Gulzar Singh ◽  
Prakash Panwaria ◽  
Surajit Metya ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Red Shift

Theoretical and Experimental Study of Monofunctional Vinyl Cyclopropanes Bearing Hydrogen Bond Enabling Side Chains

2021 ◽  
Author(s):  
Sören Schumacher ◽  
Sanwardhini Pantawane ◽  
Stephan Gekle ◽  
Seema Agarwal
Keyword(s):  
Experimental Study ◽  
Hydrogen Bond ◽  
Side Chains

On the turn-inducing properties of asparagine: the structuring role of the amide side chain, from isolated model peptides to crystallized proteins

2018 ◽  
Vol 20 (5) ◽  
pp. 3411-3423 ◽  
Author(s):  
S. Habka ◽  
W. Y. Sohn ◽  
V. Vaquero-Vara ◽  
M. Géléoc ◽  
B. Tardivel ◽  
...  
Keyword(s):  
Gas Phase ◽  
Laser Spectroscopy ◽  
Protein Structures ◽  
Side Chain ◽  
Amide Side Chain ◽  
Model Peptides

The anchoring properties of an asparagine (Asn) residue to its local backbone environment in turn model peptides is characterized using gas phase laser spectroscopy and compared to crystallized protein structures.

scholarly journals 4-{[Bis(2-hydroxyethyl)amino]methyl}-6-methoxy-2H-chromen-2-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2413-o2414
Author(s):  
Reshma Naik ◽  
Ravish Sankolli ◽  
G. N. Anil Kumar ◽  
T. N. Guru Row ◽  
Manohar V. Kulkarni
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Side Chains ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

In the title compound, C15H19NO5, an intramolecular O—H...O hydrogen bond links the hydroxyethyl side chains, forming a seven-membered ring. In the crystal, molecules are linked into chainsviaO—H...O hydrogen bonds along thebaxis. Further, molecules are linked by weak intermolecular C—H...O and π–π stacking interactions [centroid–centroid distance = 3.707 (4) Å].

scholarly journals A theoretical study on the red- and blue-shift hydrogen bonds of cis-trans formic acid dimer in excited states

2013 ◽  
Vol 11 (2) ◽  
pp. 171-179 ◽  
Author(s):  
Dapeng Yang ◽  
Yonggang Yang ◽  
Yufang Liu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Formic Acid ◽  
Excited States ◽  
Density Functional ◽  
Blue Shift ◽  
Red Shift ◽  
Functional Theory ◽  
Photophysical Study ◽  
Tddft Method

AbstractThe excited states of cis-trans formic acid dimer and its monomers have been investigated by time-dependent density functional theory (TDDFT) method. The formation of intermolecular hydrogen bonds O1-H1...O2=C2 and C2-H2...O4=C1 induces bond length lengthening of the groups related to the hydrogen bond, while that of the C2-H2 group is shortened. It is demonstrated that the red-shift hydrogen bond O1-H1...O2=C2 and blue-shift hydrogen bond C2-H2...O4=C1 are both weakened when excited to the S1 state. Moreover, it is found that the groups related to the formation of red-shift hydrogen bond O1-H1...O2=C2 are both strengthened in the S1 state, while the groups related to the blue-shift hydrogen bond C2-H2...O4=C1 are both weakened. This will provide information for the photochemistry and photophysical study of red- and blue-shift hydrogen bond.

scholarly journals Implication of Ile-69 and Thr-182 residues in kinetic characteristics of IRT-3 (TEM-32) beta-lactamase.

1996 ◽  
Vol 40 (10) ◽  
pp. 2434-2436 ◽  
Author(s):  
S Farzaneh ◽  
E B Chaibi ◽  
J Peduzzi ◽  
M Barthelemy ◽  
R Labia ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Catalytic Activity ◽  
Water Molecule ◽  
Side Chains ◽  
Beta Lactamase ◽  
Kinetic Characteristics ◽  
Beta Lactamases ◽  
Inhibitor Resistance

The substitution of a methionine for an isoleucine at position 69 (Met69Ile), which causes inhibitor resistance to TEM-type beta-lactamases (IRT-3 and IRT-I69), altered the positions of the Asn-170 and Glu-166 side chains as well as the position of the catalytic water molecule. A novel hydrogen bond between the hydroxyl of Thr-182 and the carbonyl of Glu-64 was expected to be responsible for the increase in the catalytic activity of the IST-T182 and IRT-3 enzymes compared with those of TEM-1 and IRT-169, respectively.

Ultrafast Dynamics and Hydrogen-Bond Structure in Aqueous Solutions of Model Peptides

2010 ◽  
Vol 114 (32) ◽  
pp. 10684-10691 ◽  
Author(s):  
Kamila Mazur ◽  
Ismael A. Heisler ◽  
Stephen R. Meech
Keyword(s):  
Hydrogen Bond ◽  
Aqueous Solutions ◽  
Ultrafast Dynamics ◽  
Model Peptides
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