2y37: Difference between revisions

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<StructureSection load='2y37' size='340' side='right'caption='[[2y37]], [[Resolution|resolution]] 2.60&Aring;' scene=''>
<StructureSection load='2y37' size='340' side='right'caption='[[2y37]], [[Resolution|resolution]] 2.60&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[2y37]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Lk3_transgenic_mice Lk3 transgenic mice]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y37 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2Y37 FirstGlance]. <br>
<table><tr><td colspan='2'>[[2y37]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Lk3_transgenic_mice Lk3 transgenic mice]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y37 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2Y37 FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=A54:2-[(1R)-3-AMINO-1-PHENYL-PROPOXY]-4-CHLORO-BENZONITRILE'>A54</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=SO4:SULFATE+ION'>SO4</scene></td></tr>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=A54:2-[(1R)-3-AMINO-1-PHENYL-PROPOXY]-4-CHLORO-BENZONITRILE'>A54</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=SO4:SULFATE+ION'>SO4</scene></td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1vaf|1vaf]], [[1m9t|1m9t]], [[3nod|3nod]], [[1dwv|1dwv]], [[1m8e|1m8e]], [[1jwk|1jwk]], [[1qw4|1qw4]], [[2bhj|2bhj]], [[1r35|1r35]], [[1dd7|1dd7]], [[1qw5|1qw5]], [[1dwx|1dwx]], [[1noc|1noc]], [[1dww|1dww]], [[2nod|2nod]], [[1n2n|1n2n]], [[1qom|1qom]], [[1nod|1nod]], [[1nos|1nos]], [[1df1|1df1]], [[1m8i|1m8i]], [[2nos|2nos]], [[1m8d|1m8d]], [[1m8h|1m8h]], [[1jwj|1jwj]]</td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1vaf|1vaf]], [[1m9t|1m9t]], [[3nod|3nod]], [[1dwv|1dwv]], [[1m8e|1m8e]], [[1jwk|1jwk]], [[1qw4|1qw4]], [[2bhj|2bhj]], [[1r35|1r35]], [[1dd7|1dd7]], [[1qw5|1qw5]], [[1dwx|1dwx]], [[1noc|1noc]], [[1dww|1dww]], [[2nod|2nod]], [[1n2n|1n2n]], [[1qom|1qom]], [[1nod|1nod]], [[1nos|1nos]], [[1df1|1df1]], [[1m8i|1m8i]], [[2nos|2nos]], [[1m8d|1m8d]], [[1m8h|1m8h]], [[1jwj|1jwj]]</div></td></tr>
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nitric-oxide_synthase_(NADPH_dependent) Nitric-oxide synthase (NADPH dependent)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.39 1.14.13.39] </span></td></tr>
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Nitric-oxide_synthase_(NADPH_dependent) Nitric-oxide synthase (NADPH dependent)], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.39 1.14.13.39] </span></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2y37 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2y37 OCA], [http://pdbe.org/2y37 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2y37 RCSB], [http://www.ebi.ac.uk/pdbsum/2y37 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2y37 ProSAT]</span></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=2y37 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2y37 OCA], [https://pdbe.org/2y37 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2y37 RCSB], [https://www.ebi.ac.uk/pdbsum/2y37 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2y37 ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
[[http://www.uniprot.org/uniprot/NOS2_MOUSE NOS2_MOUSE]] Produces nitric oxide (NO) which is a messenger molecule with diverse functions throughout the body. In macrophages, NO mediates tumoricidal and bactericidal actions. Also has nitrosylase activity and mediates cysteine S-nitrosylation of cytoplasmic target proteins such COX2.<ref>PMID:16373578</ref>   
[[https://www.uniprot.org/uniprot/NOS2_MOUSE NOS2_MOUSE]] Produces nitric oxide (NO) which is a messenger molecule with diverse functions throughout the body. In macrophages, NO mediates tumoricidal and bactericidal actions. Also has nitrosylase activity and mediates cysteine S-nitrosylation of cytoplasmic target proteins such COX2.<ref>PMID:16373578</ref>   
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==

Revision as of 17:58, 17 November 2021

The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)

Structural highlights

2y37 is a 2 chain structure with sequence from Lk3 transgenic mice. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:, , , ,
Activity:Nitric-oxide synthase (NADPH dependent), with EC number 1.14.13.39
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

[NOS2_MOUSE] Produces nitric oxide (NO) which is a messenger molecule with diverse functions throughout the body. In macrophages, NO mediates tumoricidal and bactericidal actions. Also has nitrosylase activity and mediates cysteine S-nitrosylation of cytoplasmic target proteins such COX2.[1]

Publication Abstract from PubMed

By careful analysis of experimental X-ray ligand crystallographic protein data across several inhibitor series we have discovered a novel, potent and selective series of iNOS inhibitors exemplified by compound 8.

The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS).,Cheshire DR, Berg A, Andersson GM, Andrews G, Beaton HG, Birkinshaw TN, Boughton-Smith N, Connolly S, Cook TR, Cooper A, Cooper SL, Cox D, Dixon J, Gensmantel N, Hamley PJ, Harrison R, Hartopp P, Kack H, Leeson PD, Luker T, Mete A, Millichip I, Nicholls DJ, Pimm AD, St-Gallay SA, Wallace AV Bioorg Med Chem Lett. 2011 Apr 15;21(8):2468-71. Epub 2011 Feb 18. PMID:21398123[2]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

See Also

References

  1. ↑ Kim SF, Huri DA, Snyder SH. Inducible nitric oxide synthase binds, S-nitrosylates, and activates cyclooxygenase-2. Science. 2005 Dec 23;310(5756):1966-70. PMID:16373578 doi:http://dx.doi.org/10.1126/science.1119407
  2. ↑ Cheshire DR, Berg A, Andersson GM, Andrews G, Beaton HG, Birkinshaw TN, Boughton-Smith N, Connolly S, Cook TR, Cooper A, Cooper SL, Cox D, Dixon J, Gensmantel N, Hamley PJ, Harrison R, Hartopp P, Kack H, Leeson PD, Luker T, Mete A, Millichip I, Nicholls DJ, Pimm AD, St-Gallay SA, Wallace AV. The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS). Bioorg Med Chem Lett. 2011 Apr 15;21(8):2468-71. Epub 2011 Feb 18. PMID:21398123 doi:10.1016/j.bmcl.2011.02.061

2y37, resolution 2.60Å

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