2foc

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Line 1: Line 1:
-
[[Image:2foc.gif|left|200px]]
+
{{Seed}}
 +
[[Image:2foc.png|left|200px]]
<!--
<!--
Line 9: Line 10:
{{STRUCTURE_2foc| PDB=2foc | SCENE= }}
{{STRUCTURE_2foc| PDB=2foc | SCENE= }}
-
'''Structure of porcine pancreatic elastase in 55% dimethylformamide'''
+
===Structure of porcine pancreatic elastase in 55% dimethylformamide===
-
==Overview==
+
<!--
-
Multiple solvent crystal structures (MSCS) of porcine pancreatic elastase were used to map the binding surface the enzyme. Crystal structures of elastase in neat acetonitrile, 95% acetone, 55% dimethylformamide, 80% 5-hexene-1,2-diol, 80% isopropanol, 80% ethanol and 40% trifluoroethanol showed that the organic solvent molecules clustered in the active site, were found mostly unclustered in crystal contacts and in general did not bind elsewhere on the surface of elastase. Mixtures of 40% benzene or 40% cyclohexane in 50% isopropanol and 10% water showed no bound benzene or cyclohexane molecules, but did reveal bound isopropanol. The clusters of organic solvent probe molecules coincide with pockets occupied by known inhibitors. MSCS also reveal the areas of plasticity within the elastase binding site and allow for the visualization of a nearly complete first hydration shell. The pattern of organic solvent clusters determined by MSCS for elastase is consistent with patterns for hot spots in protein-ligand interactions determined from database analysis in general. The MSCS method allows probing of hot spots, plasticity and hydration simultaneously, providing a powerful complementary strategy to guide computational methods currently in development for binding site determination, ligand docking and design.
+
The line below this paragraph, {{ABSTRACT_PUBMED_16488429}}, adds the Publication Abstract to the page
 +
(as it appears on PubMed at http://www.pubmed.gov), where 16488429 is the PubMed ID number.
 +
-->
 +
{{ABSTRACT_PUBMED_16488429}}
==About this Structure==
==About this Structure==
Line 35: Line 39:
[[Category: Protein binding site]]
[[Category: Protein binding site]]
[[Category: Solvent mapping]]
[[Category: Solvent mapping]]
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 04:07:38 2008''
+
 
 +
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 12:46:26 2008''

Revision as of 09:46, 28 July 2008

Image:2foc.png

Template:STRUCTURE 2foc

Structure of porcine pancreatic elastase in 55% dimethylformamide

Template:ABSTRACT PUBMED 16488429

About this Structure

2FOC is a Single protein structure of sequence from Sus scrofa. Full crystallographic information is available from OCA.

Reference

Multiple solvent crystal structures: probing binding sites, plasticity and hydration., Mattos C, Bellamacina CR, Peisach E, Pereira A, Vitkup D, Petsko GA, Ringe D, J Mol Biol. 2006 Apr 14;357(5):1471-82. Epub 2006 Jan 30. PMID:16488429

Page seeded by OCA on Mon Jul 28 12:46:26 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/2foc"
Personal tools