1d1w: Difference between revisions

Revision as of 13:21, 2 May 2008

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

OverviewOverview

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.

About this StructureAbout this Structure

1D1W is a Single protein structure of sequence from Bos taurus. Full crystallographic information is available from OCA.

ReferenceReference

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 Page seeded by OCA on Fri May 2 13:21:20 2008

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OCA

@@ Line 1: / Line 1: @@
 [[Image:1d1w.gif|left|200px]]
- {{Structure
+<!--
-|PDB= 1d1w |SIZE=350|CAPTION= <scene name='initialview01'>1d1w</scene>, resolution 2.00&Aring;
+The line below this paragraph, containing "STRUCTURE_1d1w", creates the "Structure Box" on the page.
-|SITE=
+You may change the PDB parameter (which sets the PDB file loaded into the applet)
-|LIGAND= <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=ATQ:2-AMINOTHIAZOLINE'>ATQ</scene>, <scene name='pdbligand=CAD:CACODYLIC+ACID'>CAD</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=H4B:5,6,7,8-TETRAHYDROBIOPTERIN'>H4B</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>
+or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Nitric-oxide_synthase Nitric-oxide synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.39 1.14.13.39] </span>
+or leave the SCENE parameter empty for the default display.
-|GENE=
+-->
-|DOMAIN=
+{{STRUCTURE_1d1w|  PDB=1d1w  |  SCENE=  }}
-|RELATEDENTRY=[[1nse|1NSE]], [[1d0c|1D0C]], [[1d0o|1D0O]], [[1d0p|1D0P]], [[1d1v|1D1V]], [[1d1w|1D1W]], [[1d1x|1D1X]], [[1d1y|1D1Y]]
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1d1w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1d1w OCA], [http://www.ebi.ac.uk/pdbsum/1d1w PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1d1w RCSB]</span>
-}}
 '''BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 2-AMINOTHIAZOLINE (H4B BOUND)'''
@@ Line 32: / Line 29: @@
 [[Category: Poulos, T L.]]
 [[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 Sun Mar 30 19:32:54 2008''