1ed4

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{{Seed}}
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{{STRUCTURE_1ed4| PDB=1ed4 | SCENE= }}
{{STRUCTURE_1ed4| PDB=1ed4 | SCENE= }}
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'''BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH IPITU (H4B FREE)'''
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===BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH IPITU (H4B FREE)===
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==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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(as it appears on PubMed at http://www.pubmed.gov), where 11051558 is the PubMed ID number.
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{{ABSTRACT_PUBMED_11051558}}
==About this Structure==
==About this Structure==
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[[Category: Heme protein]]
[[Category: Heme protein]]
[[Category: Nitric oxide synthase]]
[[Category: Nitric oxide synthase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 14:57:07 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 1 00:30:57 2008''

Revision as of 21:31, 30 June 2008

Image:1ed4.png

Template:STRUCTURE 1ed4

BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH IPITU (H4B FREE)

Template:ABSTRACT PUBMED 11051558

About this Structure

1ED4 is a Single protein structure of sequence from Bos taurus. Full crystallographic information is available from OCA.

Reference

Mapping the active site polarity in structures of endothelial nitric oxide synthase heme domain complexed with isothioureas., Li H, Raman CS, Martasek P, Kral V, Masters BS, Poulos TL, J Inorg Biochem. 2000 Aug 31;81(3):133-9. PMID:11051558

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