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4jls

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Crystal Structure of E. coli XGPRT in complex with (3R,4S)-4-(Guanin-9-yl)-3-hydroxypyrrolidin-1-N-ylacetylphosphonic acid

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 ==Crystal Structure of E. coli XGPRT in complex with (3R,4S)-4-(Guanin-9-yl)-3-hydroxypyrrolidin-1-N-ylacetylphosphonic acid==
-<StructureSection load='4jls' size='340' side='right' caption='[[4jls]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
+<StructureSection load='4jls' size='340' side='right'caption='[[4jls]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[4jls]] is a 8 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4JLS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4JLS FirstGlance]. <br>
+<table><tr><td colspan='2'>[[4jls]] is a 8 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_str._K-12_substr._MDS42 Escherichia coli str. K-12 substr. MDS42]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4JLS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4JLS FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3ZE:{2-[(3S,4R)-3-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-4-HYDROXYPYRROLIDIN-1-YL]-2-OXOETHYL}PHOSPHONIC+ACID'>3ZE</scene></td></tr>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.2&#8491;</td></tr>
-<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4jit|4jit]]</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3ZE:{2-[(3S,4R)-3-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-4-HYDROXYPYRROLIDIN-1-YL]-2-OXOETHYL}PHOSPHONIC+ACID'>3ZE</scene></td></tr>
-<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Xanthine_phosphoribosyltransferase Xanthine phosphoribosyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.22 2.4.2.22] </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=4jls FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4jls OCA], [https://pdbe.org/4jls PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4jls RCSB], [https://www.ebi.ac.uk/pdbsum/4jls PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4jls ProSAT]</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=4jls FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4jls OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4jls RCSB], [http://www.ebi.ac.uk/pdbsum/4jls PDBsum]</span></td></tr>
 </table>
 == Function ==
-[[http://www.uniprot.org/uniprot/H0Q6L9_ECOLI H0Q6L9_ECOLI]] Acts on guanine, xanthine and to a lesser extent hypoxanthine.[HAMAP-Rule:MF_01903][SAAS:SAAS00010659]
+[https://www.uniprot.org/uniprot/XGPT_ECOLI XGPT_ECOLI] Acts on guanine, xanthine and to a lesser extent hypoxanthine.<ref>PMID:9100006</ref>
-<div style="background-color:#fffaf0;">
-== Publication Abstract from PubMed ==
-Escherichia coli (Ec) cells possess two purine salvage enzymes: xanthine-guanine phosphoribosyltransferase (XGPRT) and hypoxanthine phosphoribosyltransferase (HPRT). EcXGPRT shares a common structural feature with other members of this family, a flexible loop that closes over the active site during catalysis. The replacement of six of these amino acids by alanine has no effect on the Km for the two substrates. However, the Ki for the nucleoside monophosphate increases by 27-fold, and the kcat is reduced by approximately 200-fold. Nucleoside phosphonates (NP) are good inhibitors of EcXGPRT and EcHPRT, with Ki values as low as 10 nM. In the absence of the flexible loop, these values increase by 5- to 30-fold, indicating the importance of the loop for high-affinity inhibition. Crystal structures of two NPs in complex with EcXGPRT explain the tight binding. Prodrugs of NPs with low Ki values for EcXGPRT or EcHPRT exhibit IC50 values between 5 and 23 muM against Mycobacterium tuberculosis in cell-based assays, suggesting that these compounds are therapeutic leads against pathogenic bacteria.
-Inhibition of the Escherichia coli 6-oxopurine phosphoribosyltransferases by nucleoside phosphonates: potential for new antibacterial agents.,Keough DT, Hockova D, Rejman D, Spacek P, Vrbkova S, Krecmerova M, Eng WS, Jans H, West NP, Naesens LM, de Jersey J, Guddat LW J Med Chem. 2013 Sep 12;56(17):6967-84. doi: 10.1021/jm400779n. Epub 2013 Aug 27. PMID:23927482<ref>PMID:23927482</ref>
-From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+==See Also==
-</div>
+*[[Phosphoribosyltransferase 3D structures|Phosphoribosyltransferase 3D structures]]
 == References ==
 <references/>
 __TOC__
 </StructureSection>
-[[Category: Xanthine phosphoribosyltransferase]]
+[[Category: Escherichia coli str. K-12 substr. MDS42]]
-[[Category: Eng, W S]]
+[[Category: Large Structures]]
-[[Category: Guddat, L W]]
+[[Category: Eng WS]]
-[[Category: Hockova, D]]
+[[Category: Guddat LW]]
-[[Category: Jans, H]]
+[[Category: Hockova D]]
-[[Category: Jersey, J de]]
+[[Category: Jans H]]
-[[Category: Keough, D T]]
+[[Category: Keough DT]]
-[[Category: Krecmerova, M]]
+[[Category: Krecmerova M]]
-[[Category: Naesens, L M.J]]
+[[Category: Naesens LMJ]]
-[[Category: Rejman, D]]
+[[Category: Rejman D]]
-[[Category: Spacek, P]]
+[[Category: Spacek P]]
-[[Category: Vrbkova, S]]
+[[Category: Vrbkova S]]
-[[Category: West, N P]]
+[[Category: West NP]]
-[[Category: Antibacterial]]
+[[Category: De Jersey J]]
-[[Category: Nucleoside phosphonate]]
-[[Category: Purine salvage]]
-[[Category: Transferase]]
-[[Category: Xanthine-guanine phosphoribosyltransferase]]

4jls

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Crystal Structure of E. coli XGPRT in complex with (3R,4S)-4-(Guanin-9-yl)-3-hydroxypyrrolidin-1-N-ylacetylphosphonic acid

Structural highlights

Function

See Also

References

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