A 1H-NMR determination of the solution structure of the A-chain of insulin: comparison with the crystal structure and an examination of the role of solvent

Crystal structure prediction combined with experimental studies unveil the structural and thermodynamic features of three non-solvated forms and a carbon tetrachloride solvate of 4-aminoquinaldine and provide intriguing insights into void structures and the role of solvent inclusion.

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Solution structure of the B-chain of insulin as determined by 1H NMR spectroscopy Comparison with the crystal structure of the insulin hexamer and with the solution structure of the insulin monomer

International journal of peptide & protein research ◽

10.1111/j.1399-3011.1995.tb01077.x ◽

2009 ◽

Vol 46 (5) ◽

pp. 424-433 ◽

Cited By ~ 19

Author(s):

BERNADEITE HAWKINS ◽

KEITH CROSS ◽

DAVID CRAIK

Keyword(s):

Crystal Structure ◽

Nmr Spectroscopy ◽

1H Nmr ◽

1H Nmr Spectroscopy ◽

Solution Structure

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Determination of the NMR solution structure of the Hoechst 33258-d(GTGGAATTCCAC)2 complex and comparison with the X-ray crystal structure

Structure ◽

10.1016/0969-2126(93)90019-d ◽

1993 ◽

Vol 1 (3) ◽

pp. 177-186 ◽

Cited By ~ 35

Author(s):

Agostino Fede ◽

Martin Billeter ◽

Werner Leupin ◽

Kurt Wüthrich

Keyword(s):

Crystal Structure ◽

Solution Structure ◽

Hoechst 33258 ◽

Nmr Solution Structure ◽

X Ray

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ChemInform Abstract: Solution Structure of the B-Chain of Insulin as Determined by 1H NMR Spectroscopy. Comparison with the Crystal Structure of the Insulin Hexamer and with the Solution Structure of the Insulin Monomer.

ChemInform ◽

10.1002/chin.199609240 ◽

2010 ◽

Vol 27 (9) ◽

pp. no-no

Author(s):

B. HAWKINS ◽

K. CROSS ◽

D. CRAIK

Keyword(s):

Crystal Structure ◽

Nmr Spectroscopy ◽

1H Nmr ◽

1H Nmr Spectroscopy ◽

Solution Structure

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Determination of the structure of oxidised Desulfovibrio africanus ferredoxin I by 1 H NMR spectroscopy and comparison of its solution structure with its crystal structure 1 1Edited by D. C. Rees

Journal of Molecular Biology ◽

10.1006/jmbi.1998.1631 ◽

1998 ◽

Vol 277 (3) ◽

pp. 683-706 ◽

Cited By ~ 16

Author(s):

Sharon L. Davy ◽

Michael J. Osborne ◽

Geoffrey R. Moore

Keyword(s):

Crystal Structure ◽

Nmr Spectroscopy ◽

Solution Structure ◽

H Nmr ◽

Ferredoxin I

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Solid-State Characterization and Role of Solvent Molecules on the Crystal Structure, Packing, and Physiochemical Properties of Different Quercetin Solvates

Crystal Growth & Design ◽

10.1021/acs.cgd.0c00751 ◽

2020 ◽

Vol 20 (10) ◽

pp. 6573-6584

Author(s):

Panayiotis Klitou ◽

Christopher M. Pask ◽

Larisa Onoufriadi ◽

Ian Rosbottom ◽

Elena Simone

Keyword(s):

Crystal Structure ◽

Solid State ◽

Structure Packing ◽

Physiochemical Properties ◽

Solvent Molecules ◽

Role Of Solvent ◽

Solid State Characterization

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Lamotriginium crotonate and lamotriginium salicylate ethanol monosolvate: the role of solvent molecules in the packing organization

Acta Crystallographica Section C Structural Chemistry ◽

10.1107/s2053229617009111 ◽

2017 ◽

Vol 73 (7) ◽

pp. 563-568

Author(s):

Eleonora Freire ◽

Gustavo A. Echeverría ◽

Ricardo Baggio

Keyword(s):

Crystal Structure ◽

Building Blocks ◽

Solvent Molecules ◽

Role Of Solvent ◽

The Way ◽

Hydrogen Bonded

Two lamotriginium salts, namely lamotriginium crotonate [systematic name: 3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium but-2-enoate, C9H8Cl2N5 +·C4H5O2 −, (III)] and lamotriginium salicylate [systematic name: 3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 2-hydroxybenzoate ethanol monosolvate, C9H8Cl2N5 +·C7H5O3 −·C2H5OH, (IV)] present extremely similar centrosymmetric hydrogen-bonded A...L...L...A packing building blocks (L is lamotriginium and A is the anion). The fact that salicylate salt (IV) is (ethanol) solvated, while crotonate salt (III) is not, has a profound effect on the way these elemental units aggregate to generate the final crystal structure. Possible reasons for this behaviour are analyzed and the hypothesis raised checked against similar structures in the literature.

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