6jz3: Difference between revisions

<table><tr><td colspan='2'>[[6jz3]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Atcc_29149 Atcc 29149]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6JZ3 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6JZ3 FirstGlance]. <br>

</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CN0:(2~{S},3~{R},4~{R},5~{S})-3,4,5-tris(oxidanyl)piperidine-2-carboxylic+acid'>CN0</scene>, <scene name='pdbligand=MRD:(4R)-2-METHYLPENTANE-2,4-DIOL'>MRD</scene></td></tr>

<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">uidA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=33038 ATCC 29149])</td></tr>

<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6jz3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6jz3 OCA], [http://pdbe.org/6jz3 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6jz3 RCSB], [http://www.ebi.ac.uk/pdbsum/6jz3 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6jz3 ProSAT]</span></td></tr>

== Publication Abstract from PubMed ==

Selective inhibitors of gut bacterial beta-glucuronidases (GUSs) are of particular interest in the prevention of xenobiotic-induced toxicities. This study reports the first structure-activity relationships on potency and selectivity of several iminocyclitols (2-7) for the GUSs. Complex structures of Ruminococcus gnavus GUS with 2-7 explained how charge, conformation, and substituent of iminocyclitols affect their potency and selectivity. N1 of uronic isofagomine (2) made strong electrostatic interactions with two catalytic glutamates of GUSs, resulting in the most potent inhibition (Ki &gt;/= 11 nM). C6-propyl analogue of 2 (6) displayed 700-fold selectivity for opportunistic bacterial GUSs (Ki = 74 nM for E. coli GUS and 51.8 muM for RgGUS). In comparison with 2, there was 200-fold enhancement in the selectivity, which was attributed to differential interactions between the propyl group and loop 5 residues of the GUSs. The results provide useful insights to develop potent and selective inhibitors for undesired GUSs.

 

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== References ==

[[Category: Dashnyam, P]]

[[Category: Lin, H Y]]

[[Category: Hydrolase]]