First unequivocal observation of the multiple fully extended conformation (25-helix) in a homopeptide from a Cα-methylated chiral α-amino acid

1995 ◽  
Vol 1 (4) ◽  
pp. 157-162 ◽  
Author(s):  
André Aubry ◽  
Valerio Del Duca ◽  
Monica Pantano ◽  
Fernando Formaggio ◽  
Marco Crisma ◽  
...  
Keyword(s):  
Amino Acid ◽  
Extended Conformation ◽  
Fully Extended Conformation

Synthese, Kristallstruktur und Konformation von N-Acetyl-Cα,α-diethylglycin/Synthesis and Crystal Structure of N-Acetyl-Cα,α-diethylglycine

1992 ◽  
Vol 47 (1) ◽  
pp. 90-92 ◽  
Author(s):  
Zdzisław Gałdecki ◽  
Bernard Luciak ◽  
Adam S. Redliński ◽  
Krzysztof Kaczmarek ◽  
Mirosław T. Leplawy
Keyword(s):  
Crystal Structure ◽  
Amino Acid ◽  
Free Amino Acid ◽  
Free Amino ◽  
Direct Methods ◽  
Monoclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Extended Conformation ◽  
Fully Extended Conformation

The compound CH3-CO-NH-C(C2H5)2-COOH was synthesized from the corresponding free amino acid. N-Acetyl-Cα,α-diethylglycine crystallizes in the monoclinic space group P21/c with a = 13.551(2)Å, b = 11.110(3)Å, c = 13.569(3)Å, β = 111.54(2)°, Z = 8 , D = 1.21 g/cm3. This structure was solved by direct methods and refined to R = 0.084. N-Acetyl-Cα,α-diethylglycine shows a fully extended conformation in its -N H-C(C2H5)2-CO- part.

Characterizing the denatured state ensemble of ubiquitin under native conditions using replica exchange molecular dynamics

RSC Advances ◽  
2016 ◽  
Vol 6 (98) ◽  
pp. 95584-95589
Author(s):  
Nai-yuan Chang ◽  
Yi-Ci Li ◽  
Cheng-Ping Jheng ◽  
Yu-Ting Kuo ◽  
Cheng-I Lee
Keyword(s):  
Molecular Dynamics ◽  
Replica Exchange ◽  
Denatured State ◽  
Replica Exchange Molecular Dynamics ◽  
Extended Conformation ◽  
State Ensemble ◽  
Native Condition ◽  
Fully Extended Conformation

The representative structures of the denatured state ensemble of ubiquitin under a native condition and heat-denatured ubiquitin simulated from a fully extended conformation.

Onset of the fully extended conformation in (αMe)Leu derivatives and short peptides

1994 ◽  
Vol 16 (1) ◽  
pp. 7-14 ◽  
Author(s):  
C. Toniolo ◽  
M. Pantano ◽  
F. Formaggio ◽  
M. Crisma ◽  
G.M. Bonora ◽  
...  
Keyword(s):  
Short Peptides ◽  
Extended Conformation ◽  
Fully Extended Conformation

scholarly journals The tripeptideN-Cbz-βGly-Gly-Gly-Obz

2015 ◽  
Vol 71 (4) ◽  
pp. o240-o241
Author(s):  
Sumesh Nicholas
Keyword(s):  
Molecular Structure ◽  
Amino Acid ◽  
Benzyl Ester ◽  
Helical Conformation ◽  
Two Dimensional ◽  
Proteinogenic Amino Acid ◽  
Glycine Residue ◽  
The Third ◽  
Extended Conformation ◽  
Dimensional Network

The title peptide,N-benzyloxycarbonyl-β-glycylglycylglycine benzyl ester, C22H25N3O6, contains a non-proteinogenic amino acid residue, β-glycine, which is a homologated analogue of glycine. In the molecular structure, β-glycine adopts an extended conformation with atransconformation about its Cβ—Cαbond. The second glycine residue adopts an extended conformation while the third glycine residue adopts a helical conformation. In the crystal, three N—H...O hydrogen bonds, two involving the same carbonyl O atom as acceptor, results in an infinite two-dimensional network parallel to thebcplane.

scholarly journals The fully‐extended conformation in peptides and proteins

2018 ◽  
Vol 110 (5) ◽  
pp. e23100 ◽  
Author(s):  
Marco Crisma ◽  
Fernando Formaggio ◽  
Carlos Alemán ◽  
Joan Torras ◽  
Chandrasekharan Ramakrishnan ◽  
...  
Keyword(s):  
Extended Conformation ◽  
Fully Extended Conformation

Novel peptide foldameric motifs: a step forward in our understanding of the fully-extended conformation/310-helix coexistence

2012 ◽  
Vol 10 (12) ◽  
pp. 2413 ◽  
Author(s):  
Fernando Formaggio ◽  
Marco Crisma ◽  
Gema Ballano ◽  
Cristina Peggion ◽  
Mariano Venanzi ◽  
...  
Keyword(s):  
Extended Conformation ◽  
Fully Extended Conformation ◽  
310 Helix

X-ray studies on crystalline complexes involving amino acids and peptides. XXXVIII. Crystal structures of the complexes of L-arginine and L-histidine with glutaric acid and a comparative study of amino acid–glutaric acid complexes

2001 ◽  
Vol 57 (6) ◽  
pp. 842-849 ◽  
Author(s):  
N. T. Saraswathi ◽  
M. Vijayan
Keyword(s):  
Amino Acids ◽  
Amino Acid ◽  
Comparative Study ◽  
Dicarboxylic Acid ◽  
Glutaric Acid ◽  
Ionization State ◽  
Crystal Forms ◽  
X Ray ◽  
Aggregation Pattern ◽  
Fully Extended Conformation

The complexes of glutaric acid with L-arginine and L-histidine (two crystal forms) exhibit different stoichiometries and ionization states. The aggregation patterns in two of the crystals are remarkably similar to those observed earlier in similar structures, while the pattern in the remaining one has not been seen earlier. The variability in the ionization state and stoichiometry observed in amino acid–dicarboxylic acid complexes appears to represent subtle differences in the response of a molecule to the presence in its neighbourhood of another type of molecule. The glutaric acid molecules (or glutarate or semiglutarate ions) in their complexes and in other crystals favour a fully extended conformation, albeit with frequent departures from it. The change in the chirality of the component molecules in the complex could lead to drastic changes in the aggregation pattern; alternatively, the effects of the change are accommodated through small adjustments in essentially the same pattern.

Application of C-Terminal 7-Azabicyclo[2.2.1]heptane to Stabilize β-Strand-like Extended Conformation of a Neighboring α-Amino Acid

2018 ◽  
Vol 83 (21) ◽  
pp. 13063-13079 ◽  
Author(s):  
Luhan Zhai ◽  
Siyuan Wang ◽  
Masayuki Nara ◽  
Koh Takeuchi ◽  
Ichio Shimada ◽  
...  
Keyword(s):  
Amino Acid ◽  
Extended Conformation

Four oxoindole-linked α-alkoxy-β-amino acid derivatives

2015 ◽  
Vol 71 (4) ◽  
pp. 322-329 ◽  
Author(s):  
Krishnan Ravikumar ◽  
Balasubramanian Sridhar ◽  
Jagadeesh Babu Nanubolu ◽  
Tamilselvan Rajasekaran ◽  
Basi Venkata Subba Reddy
Keyword(s):  
Hydrogen Bond ◽  
Amino Acid ◽  
Hydrogen Bonds ◽  
Benzyl Alcohol ◽  
Chemical Reaction ◽  
Amide Group ◽  
Amino Acid Derivatives ◽  
Relative Configuration ◽  
Extended Conformation ◽  
Hydrogen Bond Interactions

Four structures of oxoindolyl α-hydroxy-β-amino acid derivatives, namely, methyl 2-{3-[(tert-butoxycarbonyl)amino]-1-methyl-2-oxoindolin-3-yl}-2-methoxy-2-phenylacetate, C24H28N2O6, (I), methyl 2-{3-[(tert-butoxycarbonyl)amino]-1-methyl-2-oxoindolin-3-yl}-2-ethoxy-2-phenylacetate, C25H30N2O6, (II), methyl 2-{3-[(tert-butoxycarbonyl)amino]-1-methyl-2-oxoindolin-3-yl}-2-[(4-methoxybenzyl)oxy]-2-phenylacetate, C31H34N2O7, (III), and methyl 2-[(anthracen-9-yl)methoxy]-2-{3-[(tert-butoxycarbonyl)amino]-1-methyl-2-oxoindolin-3-yl}-2-phenylacetate, C38H36N2O6, (IV), have been determined. The diastereoselectivity of the chemical reaction involving α-diazoesters and isatin imines in the presence of benzyl alcohol is confirmed through the relative configuration of the two stereogenic centres. In esters (I) and (III), the amide group adopts ananticonformation, whereas the conformation issynin esters (II) and (IV). Nevertheless, the amide group forms intramolecular N—H...O hydrogen bonds with the ester and ether O atoms in all four structures. The ether-linked substituents are in the extended conformation in all four structures. Ester (II) is dominated by intermolecular N—H...O hydrogen-bond interactions. In contrast, the remaining three structures are sustained by C—H...O hydrogen-bond interactions.

β-Peptoids: synthesis of a novel dimer having a fully extended conformation

Amino Acids ◽  
2012 ◽  
Vol 43 (5) ◽  
pp. 2005-2014 ◽  
Author(s):  
Gianluca Martelli ◽  
Antonella Monsignori ◽  
Mario Orena ◽  
Samuele Rinaldi ◽  
Nicola Castellucci ◽  
...  
Keyword(s):  
Extended Conformation ◽  
Fully Extended Conformation
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