1qcp: Difference between revisions

Line 1:

[[Image:1qcp.jpg|left|200px]]<br /><applet load="1qcp" size="~~450~~" color="white" frame="true" align="right" spinBox="true"

[[Image:1qcp.jpg|left|200px]]<br /><applet load="1qcp" size="350" color="white" frame="true" align="right" spinBox="true"

caption="1qcp, resolution 1.80Å" />

'''CRYSTAL STRUCTURE OF THE RWJ-51084 BOVINE PANCREATIC BETA-TRYPSIN AT 1.8 A'''<br />

==Overview==

The three-dimensional structure of bovine pancreatic trypsin complexed, with the inhibitor RWJ-51084 has been determined at 1.8 A resolution., These crystals belong to the trigonal space group P3(1)21, with unit-cell, parameters a = b = 53.43, c = 107.76 A. The refined R and R(free) values, are 0.175 and 0.237, respectively. The carbonyl group bonded to the, benzothiazole group of the inhibitor is covalently linked to the hydroxyl, O atom of Ser195, forming a tetrahedral intermediate hemiketal structure., The other carbonyl O atom of the inhibitor forms a hydrogen bond with the, Gln192 side-chain amide group. The benzothiazole group is oriented with, the aromatic N atom of RWJ-51084 accepting a hydrogen bond from His57 NE2., The arginine side chain of the inhibitor extends into the deep and narrow, pocket of the S1 specificity site of trypsin, forming a network of, hydrogen bonds.

The three-dimensional structure of bovine pancreatic trypsin complexed with the inhibitor RWJ-51084 has been determined at 1.8 A resolution. These crystals belong to the trigonal space group P3(1)21, with unit-cell parameters a = b = 53.43, c = 107.76 A. The refined R and R(free) values are 0.175 and 0.237, respectively. The carbonyl group bonded to the benzothiazole group of the inhibitor is covalently linked to the hydroxyl O atom of Ser195, forming a tetrahedral intermediate hemiketal structure. The other carbonyl O atom of the inhibitor forms a hydrogen bond with the Gln192 side-chain amide group. The benzothiazole group is oriented with the aromatic N atom of RWJ-51084 accepting a hydrogen bond from His57 NE2. The arginine side chain of the inhibitor extends into the deep and narrow pocket of the S1 specificity site of trypsin, forming a network of hydrogen bonds.

==About this Structure==

1QCP 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 CA and RWJ as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://~~ispc~~.weizmann.ac.il/oca-bin/ocashort?id=1QCP OCA].

1QCP 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=CA:'>CA</scene> and <scene name='pdbligand=RWJ:'>RWJ</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QCP OCA].

==Reference==

Line 15:

[[Category: Carson, M.]]

[[Category: Chattopadhyay, D.]]

[[Category: Costanzo, M.J.]]

[[Category: Costanzo, M J.]]

[[Category: Maryanoff, B.]]

[[Category: Recacha, R.]]

Line 23:

[[Category: serine protease-inhibitor complex]]

''Page seeded by [http://~~ispc~~.weizmann.ac.il/oca OCA ] on ~~Wed Nov~~ 21 00:34:~~36 2007~~''

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:38:19 2008''

Navigation menu

Page actions

Page actions

Personal tools

Navigation

Search

Tools

@@ Line 1: / Line 1: @@
-[[Image:1qcp.jpg|left|200px]]<br /><applet load="1qcp" size="450" color="white" frame="true" align="right" spinBox="true"
+[[Image:1qcp.jpg|left|200px]]<br /><applet load="1qcp" size="350" color="white" frame="true" align="right" spinBox="true"
 caption="1qcp, resolution 1.80&Aring;" />
 '''CRYSTAL STRUCTURE OF THE RWJ-51084 BOVINE PANCREATIC BETA-TRYPSIN AT 1.8 A'''<br />
 ==Overview==
-The three-dimensional structure of bovine pancreatic trypsin complexed, with the inhibitor RWJ-51084 has been determined at 1.8 A resolution., These crystals belong to the trigonal space group P3(1)21, with unit-cell, parameters a = b = 53.43, c = 107.76 A. The refined R and R(free) values, are 0.175 and 0.237, respectively. The carbonyl group bonded to the, benzothiazole group of the inhibitor is covalently linked to the hydroxyl, O atom of Ser195, forming a tetrahedral intermediate hemiketal structure., The other carbonyl O atom of the inhibitor forms a hydrogen bond with the, Gln192 side-chain amide group. The benzothiazole group is oriented with, the aromatic N atom of RWJ-51084 accepting a hydrogen bond from His57 NE2., The arginine side chain of the inhibitor extends into the deep and narrow, pocket of the S1 specificity site of trypsin, forming a network of, hydrogen bonds.
+The three-dimensional structure of bovine pancreatic trypsin complexed with the inhibitor RWJ-51084 has been determined at 1.8 A resolution. These crystals belong to the trigonal space group P3(1)21, with unit-cell parameters a = b = 53.43, c = 107.76 A. The refined R and R(free) values are 0.175 and 0.237, respectively. The carbonyl group bonded to the benzothiazole group of the inhibitor is covalently linked to the hydroxyl O atom of Ser195, forming a tetrahedral intermediate hemiketal structure. The other carbonyl O atom of the inhibitor forms a hydrogen bond with the Gln192 side-chain amide group. The benzothiazole group is oriented with the aromatic N atom of RWJ-51084 accepting a hydrogen bond from His57 NE2. The arginine side chain of the inhibitor extends into the deep and narrow pocket of the S1 specificity site of trypsin, forming a network of hydrogen bonds.
 ==About this Structure==
-QCP 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 CA and RWJ as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1QCP OCA].
+QCP 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=CA:'>CA</scene> and <scene name='pdbligand=RWJ:'>RWJ</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QCP OCA].
 ==Reference==
@@ Line 15: / Line 15: @@
 [[Category: Carson, M.]]
 [[Category: Chattopadhyay, D.]]
-[[Category: Costanzo, M.J.]]
+[[Category: Costanzo, M J.]]
 [[Category: Maryanoff, B.]]
 [[Category: Recacha, R.]]
@@ Line 23: / Line 23: @@
 [[Category: serine protease-inhibitor complex]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Wed Nov 21 00:34:36 2007''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:38:19 2008''