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4mx1
From Proteopedia
(Difference between revisions)
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| - | + | ==Structure of ricin A chain bound with 2-amino-4-oxo-N-(2-(3-phenylureido)ethyl)-3,4-dihydropteridine-7-carboxamide== | |
| - | + | <StructureSection load='4mx1' size='340' side='right' caption='[[4mx1]], [[Resolution|resolution]] 1.59Å' scene=''> | |
| - | {{ | + | == Structural highlights == |
| + | <table><tr><td colspan='2'>[[4mx1]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Castor_bean Castor bean]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MX1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4MX1 FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1MX:2-AMINO-4-OXO-N-{2-[(PHENYLCARBAMOYL)AMINO]ETHYL}-3,4-DIHYDROPTERIDINE-7-CARBOXAMIDE'>1MX</scene>, <scene name='pdbligand=MLA:MALONIC+ACID'>MLA</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">[[1rtc|1rtc]], [[1ift|1ift]], [[1br6|1br6]], [[3px8|3px8]], [[4hup|4hup]], [[4hv3|4hv3]], [[4mx5|4mx5]]</td></tr> | ||
| + | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/rRNA_N-glycosylase rRNA N-glycosylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.2.22 3.2.2.22] </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=4mx1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4mx1 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4mx1 RCSB], [http://www.ebi.ac.uk/pdbsum/4mx1 PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Several 7-aminoamido-pterins were synthesized to evaluate the electronic and biochemical subtleties observed in the 'linker space' when N-{N-(pterin-7-yl)carbonylglycyl}-l-phenylalanine 1 was bound to the active site of RTA. The gylcine-phenylalanine dipeptide analogs included both amides and thioamides. Decarboxy gly-phe analog 2 showed a 6.4-fold decrease in potency (IC50 = 128 muM), yet the analogous thioamide 7 recovered the lost activity and performed similarly to the parent inhibitor (IC50 = 29 muM). Thiourea 12 exhibited an IC50 nearly six times lower than the oxo analog 13. All inhibitors showed the pterin head-group firmly bound in their X-ray structures yet the pendants were not fully resolved suggesting that all pendants are not firmly bound in the RTA linker space. Calculated log P values do not correlate to the increase in bioactivity suggesting other factors dominate. | ||
| - | + | Sulfur incorporation generally improves Ricin inhibition in pterin-appended glycine-phenylalanine dipeptide mimics.,Wiget PA, Manzano LA, Pruet JM, Gao G, Saito R, Monzingo AF, Jasheway KR, Robertus JD, Anslyn EV Bioorg Med Chem Lett. 2013 Dec 15;23(24):6799-804. PMID:24432385<ref>PMID:24432385</ref> | |
| - | + | ||
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | == | + | ==See Also== |
| - | + | *[[Ricin|Ricin]] | |
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Castor bean]] | ||
[[Category: RRNA N-glycosylase]] | [[Category: RRNA N-glycosylase]] | ||
| - | [[Category: Anslyn, E V | + | [[Category: Anslyn, E V]] |
| - | [[Category: Gao, G | + | [[Category: Gao, G]] |
| - | [[Category: Jasheway, K R | + | [[Category: Jasheway, K R]] |
| - | [[Category: Manzano, L A | + | [[Category: Manzano, L A]] |
| - | [[Category: Monzingo, A F | + | [[Category: Monzingo, A F]] |
| - | [[Category: Pruet, J M | + | [[Category: Pruet, J M]] |
| - | [[Category: Robertus, J D | + | [[Category: Robertus, J D]] |
| - | [[Category: Saito, R | + | [[Category: Saito, R]] |
| - | [[Category: Wiget, P A | + | [[Category: Wiget, P A]] |
[[Category: Hydrolase]] | [[Category: Hydrolase]] | ||
[[Category: Hydrolase-hydrolase inhibitor complex]] | [[Category: Hydrolase-hydrolase inhibitor complex]] | ||
Revision as of 17:20, 21 December 2014
Structure of ricin A chain bound with 2-amino-4-oxo-N-(2-(3-phenylureido)ethyl)-3,4-dihydropteridine-7-carboxamide
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