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| | ==Crystal structure of Pseudomonas aeruginosa DsbA E82I: Crystal I== | | ==Crystal structure of Pseudomonas aeruginosa DsbA E82I: Crystal I== |
| - | <StructureSection load='4zl7' size='340' side='right' caption='[[4zl7]], [[Resolution|resolution]] 1.92Å' scene=''> | + | <StructureSection load='4zl7' size='340' side='right'caption='[[4zl7]], [[Resolution|resolution]] 1.92Å' scene=''> |
| | == Structural highlights == | | == Structural highlights == |
| - | <table><tr><td colspan='2'>[[4zl7]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Pseae Pseae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4ZL7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4ZL7 FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[4zl7]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa_PAO1 Pseudomonas aeruginosa PAO1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4ZL7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4ZL7 FirstGlance]. <br> |
| - | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=P6G:HEXAETHYLENE+GLYCOL'>P6G</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]] 1.922Å</td></tr> |
| - | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3h93|3h93]], [[2mbt|2mbt]], [[4zl8|4zl8]], [[4zl9|4zl9]]</td></tr>
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=P6G:HEXAETHYLENE+GLYCOL'>P6G</scene></td></tr> |
| - | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">dsbA, PA5489 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=208964 PSEAE])</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=4zl7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4zl7 OCA], [https://pdbe.org/4zl7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4zl7 RCSB], [https://www.ebi.ac.uk/pdbsum/4zl7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4zl7 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=4zl7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4zl7 OCA], [http://pdbe.org/4zl7 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4zl7 RCSB], [http://www.ebi.ac.uk/pdbsum/4zl7 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4zl7 ProSAT]</span></td></tr> | + | |
| | </table> | | </table> |
| | == Function == | | == Function == |
| - | [[http://www.uniprot.org/uniprot/DSBA_PSEAE DSBA_PSEAE]] Involved in disulfide-bond formation. Acts by transferring its disulfide bond to other proteins (By similarity). | + | [https://www.uniprot.org/uniprot/DSBA_PSEAE DSBA_PSEAE] Involved in disulfide-bond formation. Acts by transferring its disulfide bond to other proteins (By similarity). |
| | <div style="background-color:#fffaf0;"> | | <div style="background-color:#fffaf0;"> |
| | == Publication Abstract from PubMed == | | == Publication Abstract from PubMed == |
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| | __TOC__ | | __TOC__ |
| | </StructureSection> | | </StructureSection> |
| - | [[Category: Pseae]] | + | [[Category: Large Structures]] |
| - | [[Category: Martin, J L]] | + | [[Category: Pseudomonas aeruginosa PAO1]] |
| - | [[Category: McMahon, R M]] | + | [[Category: Martin JL]] |
| - | [[Category: Oxidoreductase]] | + | [[Category: McMahon RM]] |
| - | [[Category: Thioredoxin fold]]
| + | |
| Structural highlights
Function
DSBA_PSEAE Involved in disulfide-bond formation. Acts by transferring its disulfide bond to other proteins (By similarity).
Publication Abstract from PubMed
Pseudomonas aeruginosa is an opportunistic human pathogen for which new antimicrobial drug options are urgently sought. P. aeruginosa disulfide-bond protein A1 (PaDsbA1) plays a pivotal role in catalyzing the oxidative folding of multiple virulence proteins and as such holds great promise as a drug target. As part of a fragment-based lead discovery approach to PaDsbA1 inhibitor development, the identification of a crystal form of PaDsbA1 that was more suitable for fragment-soaking experiments was sought. A previously identified crystallization condition for this protein was unsuitable, as in this crystal form of PaDsbA1 the active-site surface loops are engaged in the crystal packing, occluding access to the target site. A single residue involved in crystal-packing interactions was substituted with an amino acid commonly found at this position in closely related enzymes, and this variant was successfully used to generate a new crystal form of PaDsbA1 in which the active-site surface is more accessible for soaking experiments. The PaDsbA1 variant displays identical redox character and in vitro activity to wild-type PaDsbA1 and is structurally highly similar. Two crystal structures of the PaDsbA1 variant were determined in complex with small molecules bound to the protein active site. These small molecules (MES, glycerol and ethylene glycol) were derived from the crystallization or cryoprotectant solutions and provide a proof of principle that the reported crystal form will be amenable to co-crystallization and soaking with small molecules designed to target the protein active-site surface.
Sent packing: protein engineering generates a new crystal form of Pseudomonas aeruginosa DsbA1 with increased catalytic surface accessibility.,McMahon RM, Coincon M, Tay S, Heras B, Morton CJ, Scanlon MJ, Martin JL Acta Crystallogr D Biol Crystallogr. 2015 Dec 1;71(Pt 12):2386-95. doi:, 10.1107/S1399004715018519. Epub 2015 Nov 26. PMID:26627647[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ McMahon RM, Coincon M, Tay S, Heras B, Morton CJ, Scanlon MJ, Martin JL. Sent packing: protein engineering generates a new crystal form of Pseudomonas aeruginosa DsbA1 with increased catalytic surface accessibility. Acta Crystallogr D Biol Crystallogr. 2015 Dec 1;71(Pt 12):2386-95. doi:, 10.1107/S1399004715018519. Epub 2015 Nov 26. PMID:26627647 doi:http://dx.doi.org/10.1107/S1399004715018519
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