3rn3: Difference between revisions
New page: left|200px<br /><applet load="3rn3" size="450" color="white" frame="true" align="right" spinBox="true" caption="3rn3, resolution 1.45Å" /> '''SEGMENTED ANISOTROPI... |
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[[Image:3rn3.jpg|left|200px]]<br /><applet load="3rn3" size=" | [[Image:3rn3.jpg|left|200px]]<br /><applet load="3rn3" size="350" color="white" frame="true" align="right" spinBox="true" | ||
caption="3rn3, resolution 1.45Å" /> | caption="3rn3, resolution 1.45Å" /> | ||
'''SEGMENTED ANISOTROPIC REFINEMENT OF BOVINE RIBONUCLEASE A BY THE APPLICATION OF THE RIGID-BODY TLS MODEL'''<br /> | '''SEGMENTED ANISOTROPIC REFINEMENT OF BOVINE RIBONUCLEASE A BY THE APPLICATION OF THE RIGID-BODY TLS MODEL'''<br /> | ||
==Overview== | ==Overview== | ||
The anisotropic displacements of selected rigid groups in bovine | The anisotropic displacements of selected rigid groups in bovine ribonuclease A have been refined from X-ray diffraction data by the application of the rigid-body TLS model. The rigid groups chosen were the side chains of tyrosine, histidine and phenylalanine and the planar side chains of aspartic acid, glutamic acid, glutamine, asparagine and arginine. The method has also been applied to the co-crystallizing active-site sulfate anion. This has enabled the description of the motion of the above-mentioned side-chain atoms by anisotropic displacement ellipsoids from a 1.45 A refinement. The hydrophobic side groups in the protein core show mainly translational motion, with mean-square librations of 20 deg2 which are similar to those found in some close-packed crystals of small organic molecules. Librational displacements are much more significant in the hydrophilic side groups where their magnitudes can be correlated with solvent accessibility. Large librations of some solvent exposed side chains correspond with the breakdown of a simple TLS model and the existence of multiple orientations of the side groups. The TLS model has also been applied to the whole protein molecule and shows that the average motion is approximately isotropic with little librational character. | ||
==About this Structure== | ==About this Structure== | ||
3RN3 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus] with SO4 as [http://en.wikipedia.org/wiki/ligand ligand]. This structure | 3RN3 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus] with <scene name='pdbligand=SO4:'>SO4</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. This structure supersedes the now removed PDB entry 1RN3. Active as [http://en.wikipedia.org/wiki/Pancreatic_ribonuclease Pancreatic ribonuclease], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.27.5 3.1.27.5] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RN3 OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: Pancreatic ribonuclease]] | [[Category: Pancreatic ribonuclease]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Harris, G | [[Category: Harris, G W.]] | ||
[[Category: Howlin, B.]] | [[Category: Howlin, B.]] | ||
[[Category: Moss, D | [[Category: Moss, D S.]] | ||
[[Category: Palmer, R | [[Category: Palmer, R A.]] | ||
[[Category: SO4]] | [[Category: SO4]] | ||
[[Category: hydrolase (nucleic acid]] | [[Category: hydrolase (nucleic acid]] | ||
[[Category: rna)]] | [[Category: rna)]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 19:11:12 2008'' | ||
Revision as of 20:11, 21 February 2008
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SEGMENTED ANISOTROPIC REFINEMENT OF BOVINE RIBONUCLEASE A BY THE APPLICATION OF THE RIGID-BODY TLS MODEL
OverviewOverview
The anisotropic displacements of selected rigid groups in bovine ribonuclease A have been refined from X-ray diffraction data by the application of the rigid-body TLS model. The rigid groups chosen were the side chains of tyrosine, histidine and phenylalanine and the planar side chains of aspartic acid, glutamic acid, glutamine, asparagine and arginine. The method has also been applied to the co-crystallizing active-site sulfate anion. This has enabled the description of the motion of the above-mentioned side-chain atoms by anisotropic displacement ellipsoids from a 1.45 A refinement. The hydrophobic side groups in the protein core show mainly translational motion, with mean-square librations of 20 deg2 which are similar to those found in some close-packed crystals of small organic molecules. Librational displacements are much more significant in the hydrophilic side groups where their magnitudes can be correlated with solvent accessibility. Large librations of some solvent exposed side chains correspond with the breakdown of a simple TLS model and the existence of multiple orientations of the side groups. The TLS model has also been applied to the whole protein molecule and shows that the average motion is approximately isotropic with little librational character.
About this StructureAbout this Structure
3RN3 is a Single protein structure of sequence from Bos taurus with as ligand. This structure supersedes the now removed PDB entry 1RN3. Active as Pancreatic ribonuclease, with EC number 3.1.27.5 Full crystallographic information is available from OCA.
ReferenceReference
Segmented anisotropic refinement of bovine ribonuclease A by the application of the rigid-body TLS model., Howlin B, Moss DS, Harris GW, Acta Crystallogr A. 1989 Dec 1;45 ( Pt 12):851-61. PMID:2619965
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