1ed4: Difference between revisions

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New page: left|200px<br /><applet load="1ed4" size="450" color="white" frame="true" align="right" spinBox="true" caption="1ed4, resolution 1.86Å" /> '''BOVINE ENDOTHELIAL N...
 
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[[Image:1ed4.gif|left|200px]]<br /><applet load="1ed4" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1ed4, resolution 1.86&Aring;" />
'''BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH IPITU (H4B FREE)'''<br />


==Overview==
==BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH IPITU (H4B FREE)==
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='1ed4' size='340' side='right'caption='[[1ed4]], [[Resolution|resolution]] 1.86&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1ed4]] 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=1ED4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1ED4 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]] 1.86&#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=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=IPU:S-ISOPROPYL-ISOTHIOUREA'>IPU</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=1ed4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ed4 OCA], [https://pdbe.org/1ed4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ed4 RCSB], [https://www.ebi.ac.uk/pdbsum/1ed4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ed4 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/ed/1ed4_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=1ed4 ConSurf].
<div style="clear:both"></div>


==About this Structure==
==See Also==
1ED4 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, IPU, 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=1ED4 OCA].
*[[Nitric Oxide Synthase 3D structures|Nitric Oxide Synthase 3D structures]]
 
__TOC__
==Reference==
</StructureSection>
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]
[[Category: Bos taurus]]
[[Category: Bos taurus]]
[[Category: Nitric-oxide synthase]]
[[Category: Large Structures]]
[[Category: Single protein]]
[[Category: Kral V]]
[[Category: Kral, V.]]
[[Category: Li H]]
[[Category: Li, H.]]
[[Category: Martasek P]]
[[Category: Martasek, P.]]
[[Category: Masters BSS]]
[[Category: Masters, B.S.S.]]
[[Category: Poulos TL]]
[[Category: Poulos, T.L.]]
[[Category: Raman CS]]
[[Category: Raman, C.S.]]
[[Category: ACT]]
[[Category: CAD]]
[[Category: GOL]]
[[Category: HEM]]
[[Category: IPU]]
[[Category: ZN]]
[[Category: alpha-beta fold]]
[[Category: heme protein]]
[[Category: nitric oxide synthase]]
 
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 13:54:31 2007''

Latest revision as of 10:01, 7 February 2024

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

Structural highlights

1ed4 is a 2 chain structure with sequence from Bos taurus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 1.86Å
Ligands:, , , , ,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

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

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

See Also

1ed4, resolution 1.86Å

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