1z6j: Difference between revisions

[[Image:1z6j.gif|left|200px]]<br /><applet load="1z6j" size="350" color="white" frame="true" align="right" spinBox="true"  

We describe the structure-based design, synthesis, and enzymatic activity of a series of substituted pyrazinones as inhibitors of the TF/VIIa complex. These inhibitors contain substituents meta to the P(1) amidine designed to explore additional interactions with the VIIa residues in the so-called 'S(1) side pocket'. A crystal structure of the designed inhibitors demonstrates the ability of the P(1) side pocket moiety to engage Lys192 and main chain of Gly216 via hydrogen bond interactions, thus, providing additional possibility for chemical modification to improve selectivity and/or physical properties of inhibitors.

1Z6J is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=CA:'>CA</scene>, <scene name='pdbligand=MG:'>MG</scene> and <scene name='pdbligand=PY3:'>PY3</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Coagulation_factor_VIIa Coagulation factor VIIa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.21 3.4.21.21] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1Z6J OCA].  

[[Category: Kurumbail, R G.]]

[[Category: Kusturin, C L.]]

[[Category: Neumann, W L.]]

[[Category: Poda, G I.]]

[[Category: Rahman, H K.]]

[[Category: Sample, K R.]]

[[Category: Schweitzer, B A.]]

[[Category: Stallings, W C.]]

[[Category: Stegeman, R A.]]

[[Category: Stevens, A M.]]

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:12:33 2008''