1d1w: Difference between revisions

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{{Seed}}
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{{STRUCTURE_1d1w|  PDB=1d1w  |  SCENE=  }}  
{{STRUCTURE_1d1w|  PDB=1d1w  |  SCENE=  }}  


'''BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 2-AMINOTHIAZOLINE (H4B BOUND)'''
===BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 2-AMINOTHIAZOLINE (H4B BOUND)===




==Overview==
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Analyzing the active site topology and plasticity of nitric oxide synthase (NOS) and understanding enzyme-drug interactions are crucial for the development of potent, isoform-selective NOS inhibitors. A small hydrophobic pocket in the active site is identified in the bovine eNOS heme domain structures complexed with potent isothiourea inhibitors: seleno analogue of S-ethyl-isothiourea, S-isopropyl-isothiourea, and 2-aminothiazoline, respectively. These structures reveal the importance of nonpolar van der Waals contacts in addition to the well-known hydrogen bonding interactions between inhibitor and enzyme. The scaffold of a potent NOS inhibitor should be capable of donating hydrogen bonds to as well as making nonpolar contacts with amino acids in the NOS active site.
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==About this Structure==
==About this Structure==
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[[Category: Raman, C S.]]
[[Category: Raman, C S.]]
[[Category: Alpha-beta fold]]
[[Category: Alpha-beta fold]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May  2 13:21:20 2008''
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jun 30 22:08:22 2008''

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