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4s3f

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Revision as of 12:11, 12 April 2017

IspG in complex with Inhibitor 8 (compound 1077)

Structural highlights

4s3f is a 1 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:	,
NonStd Res:
Related:	4g9p, 2y0f, 3noy, 4s38, 4s39, 4s3a, 4s3b, 4s3c, 4s3d, 4s3e
Activity:	(E)-4-hydroxy-3-methylbut-2-enyl-diphosphate synthase, with EC number 1.17.7.1
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

[ISPG_THET8] Converts 2C-methyl-D-erythritol 2,4-cyclodiphosphate (ME-2,4cPP) into 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate.

Publication Abstract from PubMed

IspG is the penultimate enzyme in non-mevalonate biosynthesis of the universal terpene building blocks isopentenyl diphosphate and dimethylallyl diphosphate. Its mechanism of action has been the subject of numerous studies but remained unresolved due to difficulties in identifying distinct reaction intermediates. Using a moderate reducing agent and an epoxide substrate analogue, we were now able to trap and crystallographically characterize various stages in the IspG-catalyzed conversion of 2-C-methyl-d-erythritol-2,4-cyclo-diphosphate into (E)-1-hydroxy-2-methylbut-2-enyl-4-diphosphate. In addition, the enzyme's structure was determined in complex with several inhibitors. These results, combined with recent electron paramagnetic resonance data, allowed us to deduce a detailed and complete IspG catalytic mechanism, which describes all stages from initial ring opening to formation of (E)-1-hydroxy-2-methylbut-2-enyl-4-diphosphate via discrete radical and carbanion intermediates. The data presented in this article provide a guide for the design of selective drugs against many prokaryotic and eukaryotic pathogens to which the non-mevalonate pathway is essential for survival and virulence.

Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [FeS] Enzyme IspG (GcpE).,Quitterer F, Frank A, Wang K, Rao G, O'Dowd B, Li J, Guerra F, Abdel-Azeim S, Bacher A, Eppinger J, Oldfield E, Groll M J Mol Biol. 2015 Apr 11. pii: S0022-2836(15)00225-9. doi:, 10.1016/j.jmb.2015.04.002. PMID:25868383^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Quitterer F, Frank A, Wang K, Rao G, O'Dowd B, Li J, Guerra F, Abdel-Azeim S, Bacher A, Eppinger J, Oldfield E, Groll M. Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [FeS] Enzyme IspG (GcpE). J Mol Biol. 2015 Apr 11. pii: S0022-2836(15)00225-9. doi:, 10.1016/j.jmb.2015.04.002. PMID:25868383 doi:http://dx.doi.org/10.1016/j.jmb.2015.04.002

1 Structural highlights
2 Function
3 Publication Abstract from PubMed
4 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/4s3f"

@@ Line 1: / Line 1: @@
 ==IspG in complex with Inhibitor 8 (compound 1077)==
 <StructureSection load='4s3f' size='340' side='right' caption='[[4s3f]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
@@ Line 7: / Line 8: @@
 <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4g9p|4g9p]], [[2y0f|2y0f]], [[3noy|3noy]], [[4s38|4s38]], [[4s39|4s39]], [[4s3a|4s3a]], [[4s3b|4s3b]], [[4s3c|4s3c]], [[4s3d|4s3d]], [[4s3e|4s3e]]</td></tr>
 <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/(E)-4-hydroxy-3-methylbut-2-enyl-diphosphate_synthase (E)-4-hydroxy-3-methylbut-2-enyl-diphosphate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.17.7.1 1.17.7.1] </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=4s3f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4s3f OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4s3f RCSB], [http://www.ebi.ac.uk/pdbsum/4s3f PDBsum]</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=4s3f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4s3f OCA], [http://pdbe.org/4s3f PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4s3f RCSB], [http://www.ebi.ac.uk/pdbsum/4s3f PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4s3f ProSAT]</span></td></tr>
 </table>
 == Function ==
@@ Line 19: / Line 20: @@
 From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 </div>
+<div class="pdbe-citations 4s3f" style="background-color:#fffaf0;"></div>
 == References ==
 <references/>

4s3f

From Proteopedia

Revision as of 12:11, 12 April 2017

IspG in complex with Inhibitor 8 (compound 1077)

Structural highlights

Function

Publication Abstract from PubMed

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

Views

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