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==Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((3-(Methylamino)methyl)phenoxy)methyl)quinolin-2-amine== | |||
<StructureSection load='5g6h' size='340' side='right' caption='[[5g6h]], [[Resolution|resolution]] 1.91Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[5g6h]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5G6H OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5G6H FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</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=M85:7-[[3-(METHYLAMINOMETHYL)PHENOXY]METHYL]QUINOLIN-2-AMINE'>M85</scene></td></tr> | |||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5g65|5g65]], [[5g66|5g66]], [[5g67|5g67]], [[5g68|5g68]], [[5g69|5g69]], [[5g6a|5g6a]], [[5g6b|5g6b]], [[5g6c|5g6c]], [[5g6d|5g6d]], [[5g6e|5g6e]], [[5g6f|5g6f]], [[5g6g|5g6g]], [[5g6i|5g6i]], [[5g6j|5g6j]], [[5g6k|5g6k]], [[5g6l|5g6l]], [[5g6m|5g6m]], [[5g6n|5g6n]], [[5g6o|5g6o]], [[5g6p|5g6p]], [[5g6q|5g6q]]</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_(NAD(P)H-dependent) Nitric-oxide synthase (NAD(P)H-dependent)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.165 1.14.13.165] </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=5g6h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5g6h OCA], [http://pdbe.org/5g6h PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5g6h RCSB], [http://www.ebi.ac.uk/pdbsum/5g6h PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5g6h ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[[http://www.uniprot.org/uniprot/NOSO_BACSU NOSO_BACSU]] Catalyzes the production of nitric oxide. | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Nitric oxide (NO) is produced in Gram-positive pathogens Bacillus anthracis and Staphylococcus aureus by the bacterial isoform of nitric oxide synthase (NOS). Inhibition of bacterial nitric oxide synthase (bNOS) has been identified as a promising antibacterial strategy for targeting methicillin-resistant Staphylocoocus aureus1. One class of NOS inhibitors that demonstrates antimicrobial efficacy utilizes an aminoquinoline scaffold. Here we report on a variety of aminoquinolines that target the bacterial NOS active site, in part, by binding to a hydrophobic patch that is unique to bNOS. Through mutagenesis and crystallographic studies, our findings demonstrate that aminoquinolines are an excellent scaffold to further aid in the development of bNOS-specific inhibitors. | |||
Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-based Inhibitors.,Holden JK, Lewis MC, Cinelli MA, Abdullatif Z, Pensa AV, Silverman RB, Poulos TL Biochemistry. 2016 Sep 8. PMID:27607918<ref>PMID:27607918</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
[[Category: Poulos, T | <div class="pdbe-citations 5g6h" style="background-color:#fffaf0;"></div> | ||
[[Category: | == References == | ||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Holden, J K]] | |||
[[Category: Poulos, T L]] | |||
[[Category: Inhibitor]] | |||
[[Category: Nitric oxide synthase]] | |||
[[Category: Oxidoreductase]] | |||
Revision as of 16:49, 21 September 2016
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((3-(Methylamino)methyl)phenoxy)methyl)quinolin-2-amineStructure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((3-(Methylamino)methyl)phenoxy)methyl)quinolin-2-amine
Structural highlights
Function[NOSO_BACSU] Catalyzes the production of nitric oxide. Publication Abstract from PubMedNitric oxide (NO) is produced in Gram-positive pathogens Bacillus anthracis and Staphylococcus aureus by the bacterial isoform of nitric oxide synthase (NOS). Inhibition of bacterial nitric oxide synthase (bNOS) has been identified as a promising antibacterial strategy for targeting methicillin-resistant Staphylocoocus aureus1. One class of NOS inhibitors that demonstrates antimicrobial efficacy utilizes an aminoquinoline scaffold. Here we report on a variety of aminoquinolines that target the bacterial NOS active site, in part, by binding to a hydrophobic patch that is unique to bNOS. Through mutagenesis and crystallographic studies, our findings demonstrate that aminoquinolines are an excellent scaffold to further aid in the development of bNOS-specific inhibitors. Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-based Inhibitors.,Holden JK, Lewis MC, Cinelli MA, Abdullatif Z, Pensa AV, Silverman RB, Poulos TL Biochemistry. 2016 Sep 8. PMID:27607918[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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