2g8q

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[[Image:2g8q.gif|left|200px]]
[[Image:2g8q.gif|left|200px]]
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{{Structure
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|PDB= 2g8q |SIZE=350|CAPTION= <scene name='initialview01'>2g8q</scene>, resolution 1.50&Aring;
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The line below this paragraph, containing "STRUCTURE_2g8q", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND=
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[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] </span>
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{{STRUCTURE_2g8q| PDB=2g8q | SCENE= }}
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|RELATEDENTRY=[[1afu|1AFU]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2g8q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2g8q OCA], [http://www.ebi.ac.uk/pdbsum/2g8q PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2g8q RCSB]</span>
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'''The crystal structure of RNase A from monoclinic crystals at 100 K'''
'''The crystal structure of RNase A from monoclinic crystals at 100 K'''
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[[Category: Oikonomakos, N G.]]
[[Category: Oikonomakos, N G.]]
[[Category: Zographos, S E.]]
[[Category: Zographos, S E.]]
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[[Category: endonuclease]]
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[[Category: Endonuclease]]
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[[Category: hydrolase]]
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[[Category: Hydrolase]]
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[[Category: ribonuclease]]
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[[Category: Ribonuclease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 04:49:35 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:13:19 2008''
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Revision as of 01:49, 4 May 2008

Image:2g8q.gif

Template:STRUCTURE 2g8q

The crystal structure of RNase A from monoclinic crystals at 100 K


Overview

The binding of a moderate inhibitor, 3'-N-piperidine-4-carboxyl-3'-deoxy-ara-uridine, to ribonuclease A has been studied by X-ray crystallography at 1.7A resolution. Two inhibitor molecules are bound in the central RNA binding cavity of RNase A exploiting interactions with residues from peripheral binding sites rather than from the active site of the enzyme. The uracyl moiety of the first inhibitor molecule occupies the purine-preferring site of RNase A, while the rest of the molecule projects to the solvent. The second inhibitor molecule binds with the carboxyl group at the pyrimidine recognition site and the uridine moiety exploits interactions with RNase A residues Lys66, His119 and Asp121. Comparative structural analysis of the 3'-N-piperidine-4-carboxyl-3'-deoxy-ara-uridine complex with other RNase A-ligand complexes provides a structural explanation of its potency. The crystal structure of the RNase A-3'-N-piperidine-4-carboxyl-3'-deoxy-ara-uridine complex provides evidence of a novel ligand-binding pattern in RNase A for 3'-N-aminonucleosides that was not anticipated by modelling studies, while it also suggests ways to improve the efficiency and selectivity of such compounds to develop pharmaceuticals against pathologies associated with RNase A homologues.

About this Structure

2G8Q is a Single protein structure of sequence from Bos taurus. Full crystallographic information is available from OCA.

Reference

The binding of 3'-N-piperidine-4-carboxyl-3'-deoxy-ara-uridine to ribonuclease A in the crystal., Leonidas DD, Maiti TK, Samanta A, Dasgupta S, Pathak T, Zographos SE, Oikonomakos NG, Bioorg Med Chem. 2006 Sep 1;14(17):6055-64. Epub 2006 May 30. PMID:16730994 Page seeded by OCA on Sun May 4 04:49:35 2008

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