5wpp: Difference between revisions

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<StructureSection load='5wpp' size='340' side='right'caption='[[5wpp]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
<StructureSection load='5wpp' size='340' side='right'caption='[[5wpp]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[5wpp]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Fischerella_sp._atcc_43239 Fischerella sp. atcc 43239]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WPP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5WPP FirstGlance]. <br>
<table><tr><td colspan='2'>[[5wpp]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Fischerella_sp._ATCC_43239 Fischerella sp. ATCC 43239]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WPP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5WPP FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</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]] 1.7&#8491;</td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">hpiU5 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1535197 Fischerella sp. ATCC 43239])</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene></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=5wpp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wpp OCA], [http://pdbe.org/5wpp PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5wpp RCSB], [http://www.ebi.ac.uk/pdbsum/5wpp PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5wpp ProSAT]</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=5wpp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wpp OCA], [https://pdbe.org/5wpp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5wpp RCSB], [https://www.ebi.ac.uk/pdbsum/5wpp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5wpp ProSAT]</span></td></tr>
</table>
</table>
<div style="background-color:#fffaf0;">
== Function ==
== Publication Abstract from PubMed ==
[https://www.uniprot.org/uniprot/A0A076NBW8_9CYAN A0A076NBW8_9CYAN]
Hapalindole alkaloids are a structurally diverse class of cyanobacterial natural products defined by their varied polycyclic ring systems and diverse biological activities. These complex metabolites are generated from a common biosynthetic intermediate by the Stig cyclases in three mechanistic steps: a rare Cope rearrangement, 6-exo-trig cyclization, and electrophilic aromatic substitution. Here we report the structure of HpiC1, a Stig cyclase that catalyzes the formation of 12-epi-hapalindole U in vitro. The 1.5-A structure revealed a dimeric assembly with two calcium ions per monomer and with the active sites located at the distal ends of the protein dimer. Mutational analysis and computational methods uncovered key residues for an acid-catalyzed [3,3]-sigmatropic rearrangement, as well as specific determinants that control the position of terminal electrophilic aromatic substitution, leading to a switch from hapalindole to fischerindole alkaloids.
 
Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.,Newmister SA, Li S, Garcia-Borras M, Sanders JN, Yang S, Lowell AN, Yu F, Smith JL, Williams RM, Houk KN, Sherman DH Nat Chem Biol. 2018 Apr;14(4):345-351. doi: 10.1038/s41589-018-0003-x. Epub 2018 , Mar 12. PMID:29531360<ref>PMID:29531360</ref>
 
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 5wpp" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Fischerella sp. atcc 43239]]
[[Category: Fischerella sp. ATCC 43239]]
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Garcia-Borras, M]]
[[Category: Garcia-Borras M]]
[[Category: Houk, K N]]
[[Category: Houk KN]]
[[Category: Li, S]]
[[Category: Li S]]
[[Category: Lowell, A N]]
[[Category: Lowell AN]]
[[Category: Newmister, S A]]
[[Category: Newmister SA]]
[[Category: Sanders, J N]]
[[Category: Sanders JN]]
[[Category: Sherman, D H]]
[[Category: Sherman DH]]
[[Category: Smith, J L]]
[[Category: Smith JL]]
[[Category: Williams, R M]]
[[Category: Williams RM]]
[[Category: Yang, S]]
[[Category: Yang S]]
[[Category: Yu, F]]
[[Category: Yu F]]
[[Category: Cyclase]]
[[Category: Hapalindole]]
[[Category: Isomerase]]

Latest revision as of 17:16, 13 March 2024

Crystal structure HpiC1 W73M/K132MCrystal structure HpiC1 W73M/K132M

Structural highlights

5wpp is a 2 chain structure with sequence from Fischerella sp. ATCC 43239. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 1.7Å
Ligands:, ,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

A0A076NBW8_9CYAN

5wpp, resolution 1.70Å

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