C−H- - -O Hydrogen Bonds in β-Sheetlike Networks:  Combined X-ray Crystallography and High-Pressure Infrared Study

Lee, Kwang Ming; Chang, Hai‐Chou; Jiang, Jyh‐Chiang; Chen, Jack C. C.; Kao, Hsiang-En; Lin, Sheng Hsien; Lin, Ivan J. B.

doi:10.1021/ja036719z

Cited by 66 publications

(65 citation statements)

References 29 publications

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“…The structure of ionic liquids results from a competition between screening and packing. This means a balance between long-range electrostatic forces and geometric factors [3][4][5][6][7][8].…”

Section: Introductionmentioning

confidence: 99%

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Conformations of 1-Butyl-3-methylimidazolium Chloride Probed by High Pressure Raman Spectroscopy

Chang

et al. 2006

IJMS

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Abstract:The behavior of 1-butyl-3-methylimidazolium chloride has been investigated by Raman spectroscopy as a function of hydrostatic pressure. Under ambient pressure two rotational isomers (GA and AA forms) of the 1-butyl-3-methylimidazolium cation coexist in the ionic liquid state. As the supercooled liquid was compressed from ambient to 0.9 GPa, the contribution of the GA conformer decreases in intensity as the pressure was elevated. A new high pressure phase is formed above the pressure of 1.5 GPa. This new high pressure phase of 1-butyl-3-methylimidazolium chloride arises from perturbed GA conformer, i.e., distorted Crystal 2. Crystal 1 form (AA form) is known as a thermodynamically stable form under ambient pressure. Nevertheless, crystal 1 form is switched to a metastable state under the condition of high pressure.

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Section: Introductionmentioning

confidence: 99%

“…The question of hydrogen bonding in systems containing 1-alkyl-3-methylimidazolium cations has been addressed recently [6][7][8][9][10][11]. The physical-chemical properties of these ionic liquids are strongly influenced by the nature of the N-alkyl imidazolium substituents and that of the conteranions.…”

Section: Introductionmentioning

confidence: 99%

Conformations of 1-Butyl-3-methylimidazolium Chloride Probed by High Pressure Raman Spectroscopy

Chang

et al. 2006

IJMS

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“…35 Stereochemical arguments show that C-H-• -O bonds may play a particularly significant role in ß-sheets, by providing a stabilizing interaction mediated by C° protons, and the free orbitals on the opposing carbonyl oxygen atoms. 22 These interactions, saturating the H-bonding potential of the internal carbonyl group, account for the majority of the so-called lost hydrogen bonds (LHBs) in the core of protein molecules. 3 In spite of the increased acceptance of the notion of weak H-bonds mediated by C-H donor groups, there have been occasional doubts raised if the favorable interactions are not due to artifacts of crystallographic refinement.…”

Section: Discussionmentioning

confidence: 99%

“…These weak cohesive interactions are seen specifically between ß-strands, in accord with previous studies. [21][22] One of them is between Asn237 in the ß4 strand and He269 in the ß6 strand: the carbonyl oxygen atom of Asn237 accepts hydrogen bonds from C of Ile269 and from the amide group of Met270 ( Figure 5). The distance between hydrogen and oxygen in the CH-O bond is closer (2.31 A) than that in NH bond (2.36 A), while distances between the nitrogen atom of the amide group to C" and to the carbonyl oxygen atom are virtually identical (3.16 A and 3.17 A, respectively).…”

Section: Weak (Ch-• -O) Hydrogen Bondsmentioning

confidence: 99%

“…Through the PDZ domains, signaling proteins bind to receptors, channels, and other targets, often functioning as membrane-associated scaffolds for the assembly of signaling complexes. Finally, PDZ-containing proteins provide a means for subcellular targeting of their partners, as exemplified by the function of Lin-2/CASK [19], Lin-10/MINT1 [20], and GRIP [21,22].…”

Section: Introductionmentioning

confidence: 99%

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Structure-Function Relationships in Merlin, the Product of the NF2 Causal Gene

Derewenda¹

2004

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Public reporting burden for this collection of information is estimated to average 1 hour per response, including the lime for reviewing instructions, searching existing data sources, gathering and maintaining the data needed, and completing and reviewing this collection of information. Send comments regarding this burden estimate or any other aspect of this collection of Information, Including suggestions for reducing this burden to Washington Headquarters Services, Directorate for Information Operations and Reports, 1215 Jefferson Davis Highway, Suite 1204, Arlington, VA 22202-4302 and to PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES)University of Virginia Charlottesville, VA 22904 E-Mail: Zsd4n@virginia. edu SPONSORING / MONITORING AGENCY NAME(S) AND ADDRESS(ES)U 12b. DISTRIBUTION CODENeurofibromatosis type 2 (NF2) is a debilitating, inherited disorder characterized by tumors of the brain and central nervous system. It is caused by the lack of a functional product of the NF2 gene, known as merlin. Merlin serves as a linker protein between the cell membrane and the cytoskeleton. During the tenure of this grant, we used X-ray crystallography to determine the structure of the N-terminal FERM domain of merlin and we analyzed its functional implications. We also investigated structure-funtion relationships in syntenin, a scaffolding protein that binds to merlin. The structure of the PDZ tandem of syntenin was determined at 1.9 Ä resolution, and we also determined the structure of the 2 nd PDZ domain of syntenin to 0.73 Ä, making it one of the highest resolution protein structures determined thus far. Furthermore, the structures of numerous complexes of syntenin with peptide ligands were determined to gain a better understanding of peptide recognition by PDZ domains. This lead to the formulation of the "combinatorial" model of peptide recognition, which helps explain non-canonical PDZ domain specificities. Biophysical and biochemical techniques were used to characterize the interaction of the PDZ domains with peptides derived from syntenin binding partners including merlin, syndecan, and the interleukin 5 receptor a-subunit. SUBJECT TERMSNF2, merlin, crystallography, syntenin, protein-protein interactions Syndecan, interleukin 5 receptor CC, PDZ domain. Cover. SECURITY CLASSIFICATION OF REPORT UnclassifiedSF 298.Introduction. Body 5 Key Research Accomplishments 20Reportable Outcomes 21 Conclusions 24References 29Appendices 33 IntroductionNeurofibromatosis type 2 (NF2), characterized by tumors of the brain and central nervous system, is a debilitating, inherited disorder affecting 1 in 40,000 people (Evans et al., 2000). Genetic studies revealed that the disorder is caused by mutations in the NF2 gene which codes for a protein known as merlin or schwannomin (Lutchman and Rouleau, 1996). Merlin is a member of the ERM (Ezrin, Radixin, and Moesin) family of proteins, but it is unique in that it acts as a tumor suppressor . Merlin exists in two different splice forms with different C-termini, has no catalytic ac...

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C−H⋅⋅⋅O Hydrogen‐Bond‐Assisted Carboxylate⋅⋅⋅Carboxylate Interactions in a Prevented Decarboxylation of N‐Acetate Isonicotinamide Betaine

et al. 2019

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Two acetic acid functionalized isonicotinamide (or 4-carbamoyl-1-(carboxymethyl) pyridin-1-ium) salts with Br À and BPh 4 À anions have been prepared. The hydrophilic Br À and hydrophobic BPh 4 À anions result in two salts having different solubilities in water and acetone. Further recrystallizations of Br À and BPh 4 À salts from protic H 2 O/THF and aprotic acetone/ether solvents gave single crystals of a nondecarboxylated zwitterion (a isonicotiamide betaine) and a decarboxylated isonicotiamides salt at room temperature respectively. A carboxylateÀ carboxylate dimer motif was observed in the zwitterion crystal structure. Theoretical calculations by using the PBE1PBE method at the cc-pVDZ level indicate the carboxylateÀ carboxylate dimer motif was stabilized by the CÀ H···O hydrogen bonding assisted carbon-yl···carbonyl interaction.[a] J.

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C−H- - -O Hydrogen Bonds in β-Sheetlike Networks: Combined X-ray Crystallography and High-Pressure Infrared Study

Cited by 66 publications

References 29 publications

Conformations of 1-Butyl-3-methylimidazolium Chloride Probed by High Pressure Raman Spectroscopy

Conformations of 1-Butyl-3-methylimidazolium Chloride Probed by High Pressure Raman Spectroscopy

Structure-Function Relationships in Merlin, the Product of the NF2 Causal Gene

C−H⋅⋅⋅O Hydrogen‐Bond‐Assisted Carboxylate⋅⋅⋅Carboxylate Interactions in a Prevented Decarboxylation of N‐Acetate Isonicotinamide Betaine

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