1qa0: Difference between revisions

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[[Image:1qa0.jpg|left|200px]]<br /><applet load="1qa0" size="~~450~~" color="white" frame="true" align="right" spinBox="true"

[[Image:1qa0.jpg|left|200px]]<br /><applet load="1qa0" size="350" color="white" frame="true" align="right" spinBox="true"

caption="1qa0, resolution 1.8Å" />

'''BOVINE TRYPSIN 2-AMINOBENZIMIDAZOLE COMPLEX'''<br />

==Overview==

Factor Xa is a serine protease which activates thrombin (factor IIa) and, plays a key regulatory role in the blood-coagulation cascade. Factor Xa, is, therefore, an important target for the design of anti-thrombotics., Both factor Xa and thrombin share sequence and structural homology with, trypsin. As part of a factor Xa inhibitor-design program, a number of, factor Xa inhibitors were crystallographically studied complexed to bovine, trypsin. The structures of one diaryl benzimidazole, one diaryl carbazole, and three diaryloxypyridines are described. All five compounds bind to, trypsin in an extended conformation, with an amidinoaryl group in the S1, pocket and a second basic/hydrophobic moiety bound in the S4 pocket. These, binding modes all bear a resemblance to the reported binding mode of, DX-9065a in bovine trypsin and human factor Xa.

Factor Xa is a serine protease which activates thrombin (factor IIa) and plays a key regulatory role in the blood-coagulation cascade. Factor Xa is, therefore, an important target for the design of anti-thrombotics. Both factor Xa and thrombin share sequence and structural homology with trypsin. As part of a factor Xa inhibitor-design program, a number of factor Xa inhibitors were crystallographically studied complexed to bovine trypsin. The structures of one diaryl benzimidazole, one diaryl carbazole and three diaryloxypyridines are described. All five compounds bind to trypsin in an extended conformation, with an amidinoaryl group in the S1 pocket and a second basic/hydrophobic moiety bound in the S4 pocket. These binding modes all bear a resemblance to the reported binding mode of DX-9065a in bovine trypsin and human factor Xa.

==About this Structure==

1QA0 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 270 as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] Full crystallographic information is available from [http://~~ispc~~.weizmann.ac.il/oca-bin/ocashort?id=1QA0 OCA].

1QA0 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=270:'>270</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QA0 OCA].

==Reference==

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[[Category: serine protease]]

''Page seeded by [http://~~ispc~~.weizmann.ac.il/oca OCA ] on ~~Wed Nov~~ 21 00:30:~~55 2007~~''

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:37:28 2008''

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@@ Line 1: / Line 1: @@
-[[Image:1qa0.jpg|left|200px]]<br /><applet load="1qa0" size="450" color="white" frame="true" align="right" spinBox="true"
+[[Image:1qa0.jpg|left|200px]]<br /><applet load="1qa0" size="350" color="white" frame="true" align="right" spinBox="true"
 caption="1qa0, resolution 1.8&Aring;" />
 '''BOVINE TRYPSIN 2-AMINOBENZIMIDAZOLE COMPLEX'''<br />
 ==Overview==
-Factor Xa is a serine protease which activates thrombin (factor IIa) and, plays a key regulatory role in the blood-coagulation cascade. Factor Xa, is, therefore, an important target for the design of anti-thrombotics., Both factor Xa and thrombin share sequence and structural homology with, trypsin. As part of a factor Xa inhibitor-design program, a number of, factor Xa inhibitors were crystallographically studied complexed to bovine, trypsin. The structures of one diaryl benzimidazole, one diaryl carbazole, and three diaryloxypyridines are described. All five compounds bind to, trypsin in an extended conformation, with an amidinoaryl group in the S1, pocket and a second basic/hydrophobic moiety bound in the S4 pocket. These, binding modes all bear a resemblance to the reported binding mode of, DX-9065a in bovine trypsin and human factor Xa.
+Factor Xa is a serine protease which activates thrombin (factor IIa) and plays a key regulatory role in the blood-coagulation cascade. Factor Xa is, therefore, an important target for the design of anti-thrombotics. Both factor Xa and thrombin share sequence and structural homology with trypsin. As part of a factor Xa inhibitor-design program, a number of factor Xa inhibitors were crystallographically studied complexed to bovine trypsin. The structures of one diaryl benzimidazole, one diaryl carbazole and three diaryloxypyridines are described. All five compounds bind to trypsin in an extended conformation, with an amidinoaryl group in the S1 pocket and a second basic/hydrophobic moiety bound in the S4 pocket. These binding modes all bear a resemblance to the reported binding mode of DX-9065a in bovine trypsin and human factor Xa.
 ==About this Structure==
-QA0 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 270 as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1QA0 OCA].
+QA0 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=270:'>270</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QA0 OCA].
 ==Reference==
@@ Line 21: / Line 21: @@
 [[Category: serine protease]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Wed Nov 21 00:30:55 2007''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:37:28 2008''