9nse

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
(New page: 200px<br /><applet load="9nse" size="450" color="white" frame="true" align="right" spinBox="true" caption="9nse, resolution 2.24&Aring;" /> '''BOVINE ENDOTHELIAL N...)
Current revision (01:03, 28 December 2023) (edit) (undo)
 
(12 intermediate revisions not shown.)
Line 1: Line 1:
-
[[Image:9nse.jpg|left|200px]]<br /><applet load="9nse" size="450" color="white" frame="true" align="right" spinBox="true"
 
-
caption="9nse, resolution 2.24&Aring;" />
 
-
'''BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, ETHYL-ISOSELENOUREA COMPLEX'''<br />
 
-
==Overview==
+
==BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, ETHYL-ISOSELENOUREA COMPLEX==
-
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.
+
<StructureSection load='9nse' size='340' side='right'caption='[[9nse]], [[Resolution|resolution]] 2.24&Aring;' scene=''>
 +
== Structural highlights ==
 +
<table><tr><td colspan='2'>[[9nse]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=9NSE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=9NSE FirstGlance]. <br>
 +
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.24&#8491;</td></tr>
 +
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</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=ISU:SE-ETHYL-ISOSELENOUREA'>ISU</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
 +
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=9nse FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=9nse OCA], [https://pdbe.org/9nse PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=9nse RCSB], [https://www.ebi.ac.uk/pdbsum/9nse PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=9nse ProSAT]</span></td></tr>
 +
</table>
 +
== Function ==
 +
[https://www.uniprot.org/uniprot/NOS3_BOVIN NOS3_BOVIN] Produces nitric oxide (NO) which is implicated in vascular smooth muscle relaxation through a cGMP-mediated signal transduction pathway. NO mediates vascular endothelial growth factor (VEGF)-induced angiogenesis in coronary vessels and promotes blood clotting through the activation of platelets.
 +
== Evolutionary Conservation ==
 +
[[Image:Consurf_key_small.gif|200px|right]]
 +
Check<jmol>
 +
<jmolCheckbox>
 +
<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ns/9nse_consurf.spt"</scriptWhenChecked>
 +
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
 +
<text>to colour the structure by Evolutionary Conservation</text>
 +
</jmolCheckbox>
 +
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=9nse ConSurf].
 +
<div style="clear:both"></div>
 +
<div style="background-color:#fffaf0;">
 +
== Publication Abstract from PubMed ==
 +
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 Structure==
+
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<ref>PMID:11051558</ref>
-
9NSE 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 ACT, ZN, HEM, H4B, ISU, CAD and GOL as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=9NSE OCA].
+
-
==Reference==
+
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-
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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11051558 11051558]
+
</div>
-
[[Category: Bos taurus]]
+
<div class="pdbe-citations 9nse" style="background-color:#fffaf0;"></div>
-
[[Category: Nitric-oxide synthase]]
+
-
[[Category: Single protein]]
+
-
[[Category: Kral, V.]]
+
-
[[Category: Li, H.]]
+
-
[[Category: Martasek, P.]]
+
-
[[Category: Masters, B.S.S.]]
+
-
[[Category: Poulos, T.L.]]
+
-
[[Category: Raman, C.S.]]
+
-
[[Category: ACT]]
+
-
[[Category: CAD]]
+
-
[[Category: GOL]]
+
-
[[Category: H4B]]
+
-
[[Category: HEM]]
+
-
[[Category: ISU]]
+
-
[[Category: ZN]]
+
-
[[Category: heme protein]]
+
-
[[Category: nitric oxide synthase]]
+
-
[[Category: tetrahydrobiopterin]]
+
-
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 12:57:30 2007''
+
==See Also==
 +
*[[Nitric Oxide Synthase 3D structures|Nitric Oxide Synthase 3D structures]]
 +
== References ==
 +
<references/>
 +
__TOC__
 +
</StructureSection>
 +
[[Category: Bos taurus]]
 +
[[Category: Large Structures]]
 +
[[Category: Kral V]]
 +
[[Category: Li H]]
 +
[[Category: Martasek P]]
 +
[[Category: Masters BSS]]
 +
[[Category: Poulos TL]]
 +
[[Category: Raman CS]]

Current revision

BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, ETHYL-ISOSELENOUREA COMPLEX

PDB ID 9nse

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/9nse"
Personal tools