1d1w

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(New page: 200px<br /><applet load="1d1w" size="450" color="white" frame="true" align="right" spinBox="true" caption="1d1w, resolution 2.00&Aring;" /> '''BOVINE ENDOTHELIAL N...)
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[[Image:1d1w.gif|left|200px]]<br /><applet load="1d1w" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1d1w, resolution 2.00&Aring;" />
 
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'''BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 2-AMINOTHIAZOLINE (H4B BOUND)'''<br />
 
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==Overview==
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==BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 2-AMINOTHIAZOLINE (H4B BOUND)==
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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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<StructureSection load='1d1w' size='340' side='right'caption='[[1d1w]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1d1w]] 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=1D1W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1D1W FirstGlance]. <br>
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</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&#8491;</td></tr>
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<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=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></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1d1w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1d1w OCA], [https://pdbe.org/1d1w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1d1w RCSB], [https://www.ebi.ac.uk/pdbsum/1d1w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1d1w ProSAT]</span></td></tr>
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</table>
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== Function ==
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[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.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/d1/1d1w_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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=1d1w ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1D1W 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, ATQ, 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=1D1W OCA].
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*[[Nitric Oxide Synthase 3D structures|Nitric Oxide Synthase 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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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]
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[[Category: Bos taurus]]
[[Category: Bos taurus]]
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[[Category: Nitric-oxide synthase]]
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[[Category: Large Structures]]
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[[Category: Single protein]]
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[[Category: Kral V]]
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[[Category: Kral, V.]]
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[[Category: Li H]]
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[[Category: Li, H.]]
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[[Category: Martasek P]]
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[[Category: Martasek, P.]]
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[[Category: Masters BSS]]
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[[Category: Masters, B.S.S.]]
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[[Category: Poulos TL]]
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[[Category: Poulos, T.L.]]
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[[Category: Raman CS]]
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[[Category: Raman, C.S.]]
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[[Category: ACT]]
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[[Category: ATQ]]
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[[Category: CAD]]
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[[Category: GOL]]
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[[Category: H4B]]
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[[Category: HEM]]
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[[Category: ZN]]
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[[Category: alpha-beta fold]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 12:56:44 2007''
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Current revision

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

PDB ID 1d1w

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