1qbn: Difference between revisions
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==Overview== | ==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 . | 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== | ==About this Structure== | ||
1QBN is a | 1QBN 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 688 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] Structure known Active Site: 688. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1QBN OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: serine proteinase]] | [[Category: serine proteinase]] | ||
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 5 15:10:42 2007'' | ||