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Predicate | Object |
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rdf:type | |
lifeskim:mentions | |
pubmed:issue |
1
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pubmed:dateCreated |
1986-11-7
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pubmed:abstractText |
Crystals of [Phe4 Val6] antamanide (cyclic [ValProProPhePhe]2) grown from dioxane/H2O, with space group P21212 and cell parameters a = 15.099(4), b = 22.008(5) and c = 11.024(3) A, are almost identical to crystals grown from H2O/acetone, the structure of which was determined a number of years ago. Per peptide molecule there are the equivalent of 12 water molecules occupying 16 sites in both crystals; however, in the new investigation a number of water molecules present at one-half occupancy have been found in different positions than in the earlier analysis. The interpretation of the hydrogen bonding between peptide/water and between water/water is much more satisfactory. Pentagonal water assemblies are present in the solvent channel. There is a distinct indication of the occurrence of a bifurcated bond between two water molecules, as well as the presence of three-center hydrogen bonds joining three water molecules. This may be the first experimental example of a bifurcated bond between two water molecules.
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pubmed:grant | |
pubmed:language |
eng
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pubmed:journal | |
pubmed:citationSubset |
IM
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pubmed:chemical | |
pubmed:status |
MEDLINE
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pubmed:month |
Jul
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pubmed:issn |
0367-8377
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pubmed:author | |
pubmed:issnType |
Print
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pubmed:volume |
28
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
6-14
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pubmed:dateRevised |
2007-11-14
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pubmed:meshHeading |
pubmed-meshheading:3759343-Crystallization,
pubmed-meshheading:3759343-Dioxanes,
pubmed-meshheading:3759343-Hydrogen Bonding,
pubmed-meshheading:3759343-Models, Molecular,
pubmed-meshheading:3759343-Peptides, Cyclic,
pubmed-meshheading:3759343-Protein Conformation,
pubmed-meshheading:3759343-Thermodynamics,
pubmed-meshheading:3759343-X-Ray Diffraction
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pubmed:year |
1986
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pubmed:articleTitle |
Water structure in [Phe4 Val6] antamanide X 12H2O crystallized from dioxane.
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pubmed:publicationType |
Journal Article,
Research Support, U.S. Gov't, P.H.S.
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