1rru
From Proteopedia
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| - | [[Image:1rru.gif|left|200px]] | + | [[Image:1rru.gif|left|200px]] |
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| - | '''The influence of a chiral amino acid on the helical handedness of PNA in solution and in crystals''' | + | {{Structure |
| + | |PDB= 1rru |SIZE=350|CAPTION= <scene name='initialview01'>1rru</scene>, resolution 2.35Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=NH2:AMINO GROUP'>NH2</scene> | ||
| + | |ACTIVITY= | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''The influence of a chiral amino acid on the helical handedness of PNA in solution and in crystals''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1RRU is a [ | + | 1RRU is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/ ]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1RRU OCA]. |
==Reference== | ==Reference== | ||
| - | The influence of a chiral amino acid on the helical handedness of PNA in solution and in crystals., Rasmussen H, Liljefors T, Petersson B, Nielsen PE, Liljefors T, Kastrup JS, J Biomol Struct Dyn. 2004 Feb;21(4):495-502. PMID:[http:// | + | The influence of a chiral amino acid on the helical handedness of PNA in solution and in crystals., Rasmussen H, Liljefors T, Petersson B, Nielsen PE, Liljefors T, Kastrup JS, J Biomol Struct Dyn. 2004 Feb;21(4):495-502. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/14692794 14692794] |
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
[[Category: Kastrup, J S.]] | [[Category: Kastrup, J S.]] | ||
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[[Category: helical handedness]] | [[Category: helical handedness]] | ||
[[Category: l-lysine]] | [[Category: l-lysine]] | ||
| - | [[Category: molecular | + | [[Category: molecular mechanic]] |
[[Category: p-form]] | [[Category: p-form]] | ||
[[Category: peptide nucleic acid]] | [[Category: peptide nucleic acid]] | ||
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[[Category: x-ray crystallography]] | [[Category: x-ray crystallography]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 13:55:27 2008'' |
Revision as of 11:55, 20 March 2008
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| , resolution 2.35Å | |||||||
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| Ligands: | |||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
The influence of a chiral amino acid on the helical handedness of PNA in solution and in crystals
Overview
The X-ray structure of a self-complementary PNA hexamer (H-CGTACG-L-Lys-NH(2)) has been determined to 2.35 A resolution. The introduction of an L-lysine moiety has previously been shown to induce a preferred left-handedness of the PNA double helices in aqueous solution. However, in the crystal structure an equal amount of interchanging right- and left-handed helices is observed. The lysine moieties are pointing into large solvent channels and no significant interactions between this moiety and the remaining PNA molecule are observed. In contrast, molecular mechanics calculations show a preference for the left-handed helix of this hexameric PNA in aqueous solution as expected. The calculations indicate that the difference in the free energy of solvation between the left-handed and the right-handed helix is the determining factor for the preference of the left-handed helix in aqueous solution.
About this Structure
1RRU is a Protein complex structure of sequences from [1]. Full crystallographic information is available from OCA.
Reference
The influence of a chiral amino acid on the helical handedness of PNA in solution and in crystals., Rasmussen H, Liljefors T, Petersson B, Nielsen PE, Liljefors T, Kastrup JS, J Biomol Struct Dyn. 2004 Feb;21(4):495-502. PMID:14692794
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