5qkf: Difference between revisions

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-'''Unreleased structure'''
-The entry 5qkf is ON HOLD  until Paper Publication
+==Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A12_1)==
+<StructureSection load='5qkf' size='340' side='right'caption='[[5qkf]], [[Resolution|resolution]] 2.14&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[5qkf]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5QKF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5QKF FirstGlance]. <br>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.141&#8491;</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=5qkf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5qkf OCA], [https://pdbe.org/5qkf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5qkf RCSB], [https://www.ebi.ac.uk/pdbsum/5qkf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5qkf ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/DSBA_ECOLI DSBA_ECOLI] Required for disulfide bond formation in some periplasmic proteins such as PhoA or OmpA. Acts by transferring its disulfide bond to other proteins and is reduced in the process. DsbA is reoxidized by DsbB. Required for pilus biogenesis. PhoP-regulated transcription is redox-sensitive, being activated when the periplasm becomes more reducing (deletion of dsbA/dsbB, treatment with dithiothreitol). MgrB acts between DsbA/DsbB and PhoP/PhoQ in this pathway.<ref>PMID:1429594</ref> <ref>PMID:22267510</ref>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+A bottleneck in fragment-based lead development is the lack of systematic approaches to elaborate the initial fragment hits, which usually bind with low affinity to their target. Herein, we describe an analysis using X-ray crystallography of a diverse library of compounds prepared using microscale parallel synthesis. This approach yielded an 8-fold increase in affinity and detailed structural information for the resulting complex, providing an efficient and broadly applicable approach to early fragment development.
-Authors: Ilyichova, O.V., Bentley, M.R., Doak, B.C., Scanlon, M.J.
+Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).,Bentley MR, Ilyichova OV, Wang G, Williams ML, Sharma G, Alwan WS, Whitehouse RL, Mohanty B, Scammells PJ, Heras B, Martin JL, Totsika M, Capuano B, Doak BC, Scanlon MJ J Med Chem. 2020 Jun 24. doi: 10.1021/acs.jmedchem.0c00111. PMID:32529824<ref>PMID:32529824</ref>
-Description: Group deposition of library data -Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A12_1)
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
-[[Category: Doak, B.C]]
+<div class="pdbe-citations 5qkf" style="background-color:#fffaf0;"></div>
-[[Category: Ilyichova, O.V]]
+== References ==
-[[Category: Scanlon, M.J]]
+<references/>
-[[Category: Bentley, M.R]]
+__TOC__
+</StructureSection>
+[[Category: Escherichia coli K-12]]
+[[Category: Large Structures]]
+[[Category: Bentley MR]]
+[[Category: Doak BC]]
+[[Category: Ilyichova OV]]
+[[Category: Scanlon MJ]]