4elg: Difference between revisions

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==Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase==
==Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase==
<StructureSection load='4elg' size='340' side='right' caption='[[4elg]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
<StructureSection load='4elg' size='340' side='right'caption='[[4elg]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[4elg]] is a 8 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacillus_anthracis_(strain_sterne) Bacillus anthracis (strain sterne)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4ELG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4ELG FirstGlance]. <br>
<table><tr><td colspan='2'>[[4elg]] is a 8 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_anthracis_str._Sterne Bacillus anthracis str. Sterne]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4ELG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4ELG FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=52I:(2E)-3-{5-[(2,4-DIAMINOPYRIMIDIN-5-YL)METHYL]-2,3-DIMETHOXYPHENYL}-1-[(1R)-1-(2-METHYLPROPYL)PHTHALAZIN-2(1H)-YL]PROP-2-EN-1-ONE'>52I</scene>, <scene name='pdbligand=52J:(2E)-3-{5-[(2,4-DIAMINOPYRIMIDIN-5-YL)METHYL]-2,3-DIMETHOXYPHENYL}-1-[(1S)-1-(2-METHYLPROPYL)PHTHALAZIN-2(1H)-YL]PROP-2-EN-1-ONE'>52J</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene></td></tr>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=52I:(2E)-3-{5-[(2,4-DIAMINOPYRIMIDIN-5-YL)METHYL]-2,3-DIMETHOXYPHENYL}-1-[(1R)-1-(2-METHYLPROPYL)PHTHALAZIN-2(1H)-YL]PROP-2-EN-1-ONE'>52I</scene>, <scene name='pdbligand=52J:(2E)-3-{5-[(2,4-DIAMINOPYRIMIDIN-5-YL)METHYL]-2,3-DIMETHOXYPHENYL}-1-[(1S)-1-(2-METHYLPROPYL)PHTHALAZIN-2(1H)-YL]PROP-2-EN-1-ONE'>52J</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene></td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3fl8|3fl8]], [[3fl9|3fl9]], [[3ele|3ele]], [[3elb|3elb]], [[3elf|3elf]], [[4elh|4elh]]</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=4elg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4elg OCA], [https://pdbe.org/4elg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4elg RCSB], [https://www.ebi.ac.uk/pdbsum/4elg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4elg ProSAT]</span></td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">BAS2083, BA_2237, dfrA, DHFR, GBAA_2237 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=260799 Bacillus anthracis (strain Sterne)])</td></tr>
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </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=4elg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4elg OCA], [http://pdbe.org/4elg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4elg RCSB], [http://www.ebi.ac.uk/pdbsum/4elg PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4elg ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
[[http://www.uniprot.org/uniprot/Q81R22_BACAN Q81R22_BACAN]] Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis (By similarity).[PIRNR:PIRNR000194]  
[[https://www.uniprot.org/uniprot/Q81R22_BACAN Q81R22_BACAN]] Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis (By similarity).[PIRNR:PIRNR000194]
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== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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==See Also==
==See Also==
*[[Dihydrofolate reductase|Dihydrofolate reductase]]
*[[Dihydrofolate reductase 3D structures|Dihydrofolate reductase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Dihydrofolate reductase]]
[[Category: Bacillus anthracis str. Sterne]]
[[Category: Barrow, W W]]
[[Category: Large Structures]]
[[Category: Bourne, C R]]
[[Category: Barrow WW]]
[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]
[[Category: Bourne CR]]

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