1af4: Difference between revisions

Revision as of 12:43, 21 February 2008

CRYSTAL STRUCTURE OF SUBTILISIN CARLSBERG IN ANHYDROUS DIOXANE

OverviewOverview

The x-ray crystal structure of the serine protease subtilisin Carlsberg in anhydrous dioxane has been determined to 2.6-A resolution. The enzyme structure is found to be nearly indistinguishable from the structures previously determined in water and acetonitrile. Small changes in the side-chain conformations between the dioxane and water structures are of the same magnitude as those observed between two structures in different aqueous systems. Seven enzyme-bound dioxane molecules have been detected, each potentially forming at least one hydrogen bond with a subtilisin hydrogen-bond donor or bound water. Two of the bound dioxane molecules are in the active-site region, one in the P2 and another bridging the P1' and P3' pockets. The other five dioxane molecules are located on the surface of subtilisin at interprotein crystal contacts. The locations of the bound solvent in the dioxane structure are distinct from those in the structures in acetonitrile and in water.

About this StructureAbout this Structure

1AF4 is a Single protein structure of sequence from Bacillus licheniformis with and as ligands. Active as Subtilisin, with EC number 3.4.21.62 Full crystallographic information is available from OCA.

ReferenceReference

The crystal structure of subtilisin Carlsberg in anhydrous dioxane and its comparison with those in water and acetonitrile., Schmitke JL, Stern LJ, Klibanov AM, Proc Natl Acad Sci U S A. 1997 Apr 29;94(9):4250-5. PMID:9113975

Page seeded by OCA on Thu Feb 21 11:43:51 2008

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OCA

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-[[Image:1af4.gif|left|200px]]<br /><applet load="1af4" size="450" color="white" frame="true" align="right" spinBox="true"
+[[Image:1af4.gif|left|200px]]<br /><applet load="1af4" size="350" color="white" frame="true" align="right" spinBox="true"
 caption="1af4, resolution 2.6&Aring;" />
 '''CRYSTAL STRUCTURE OF SUBTILISIN CARLSBERG IN ANHYDROUS DIOXANE'''<br />
 ==Overview==
-The x-ray crystal structure of the serine protease subtilisin Carlsberg in, anhydrous dioxane has been determined to 2.6-A resolution. The enzyme, structure is found to be nearly indistinguishable from the structures, previously determined in water and acetonitrile. Small changes in the, side-chain conformations between the dioxane and water structures are of, the same magnitude as those observed between two structures in different, aqueous systems. Seven enzyme-bound dioxane molecules have been detected, each potentially forming at least one hydrogen bond with a subtilisin, hydrogen-bond donor or bound water. Two of the bound dioxane molecules are, in the active-site region, one in the P2 and another bridging the P1' and, P3' pockets. The other five dioxane molecules are located on the surface, of subtilisin at interprotein crystal contacts. The locations of the bound, solvent in the dioxane structure are distinct from those in the structures, in acetonitrile and in water.
+The x-ray crystal structure of the serine protease subtilisin Carlsberg in anhydrous dioxane has been determined to 2.6-A resolution. The enzyme structure is found to be nearly indistinguishable from the structures previously determined in water and acetonitrile. Small changes in the side-chain conformations between the dioxane and water structures are of the same magnitude as those observed between two structures in different aqueous systems. Seven enzyme-bound dioxane molecules have been detected, each potentially forming at least one hydrogen bond with a subtilisin hydrogen-bond donor or bound water. Two of the bound dioxane molecules are in the active-site region, one in the P2 and another bridging the P1' and P3' pockets. The other five dioxane molecules are located on the surface of subtilisin at interprotein crystal contacts. The locations of the bound solvent in the dioxane structure are distinct from those in the structures in acetonitrile and in water.
 ==About this Structure==
-AF4 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bacillus_licheniformis Bacillus licheniformis] with CA and DIO as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Subtilisin Subtilisin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.62 3.4.21.62] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1AF4 OCA].
+AF4 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bacillus_licheniformis Bacillus licheniformis] with <scene name='pdbligand=CA:'>CA</scene> and <scene name='pdbligand=DIO:'>DIO</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Subtilisin Subtilisin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.62 3.4.21.62] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1AF4 OCA].
 ==Reference==
@@ Line 14: / Line 14: @@
 [[Category: Single protein]]
 [[Category: Subtilisin]]
-[[Category: Klibanov, A.M.]]
+[[Category: Klibanov, A M.]]
-[[Category: Schmitke, J.L.]]
+[[Category: Schmitke, J L.]]
-[[Category: Stern, L.J.]]
+[[Category: Stern, L J.]]
 [[Category: CA]]
 [[Category: DIO]]
@@ Line 22: / Line 22: @@
 [[Category: serine protease]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 10:48:19 2007''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 11:43:51 2008''