4cfy: Difference between revisions
New page: '''Unreleased structure''' The entry 4cfy is ON HOLD Authors: Frankaer, C.G., Moroz, O.V., Turkenburg, J.P., Aspmo, S.I., Thymark, M., Friis, E.P., Stahla, K., Nielsen, J.E., Wilson, K.... |
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==SAVINASE CRYSTAL STRUCTURES FOR COMBINED SINGLE CRYSTAL DIFFRACTION AND POWDER DIFFRACTION ANALYSIS== | |||
<StructureSection load='4cfy' size='340' side='right'caption='[[4cfy]], [[Resolution|resolution]] 1.17Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[4cfy]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Lederbergia_lenta Lederbergia lenta]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4CFY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4CFY 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]] 1.17Å</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=NA:SODIUM+ION'>NA</scene></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=4cfy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4cfy OCA], [https://pdbe.org/4cfy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4cfy RCSB], [https://www.ebi.ac.uk/pdbsum/4cfy PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4cfy ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/SUBS_LEDLE SUBS_LEDLE] Subtilisin is an extracellular alkaline serine protease, it catalyzes the hydrolysis of proteins and peptide amides. | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
A microcrystalline suspension of Bacillus lentus subtilisin (Savinase) produced during industrial large-scale production was analysed by X-ray powder diffraction (XRPD) and X-ray single-crystal diffraction (MX). XRPD established that the bulk microcrystal sample representative of the entire production suspension corresponded to space group P212121, with unit-cell parameters a = 47.65, b = 62.43, c = 75.74 A, equivalent to those for a known orthorhombic crystal form (PDB entry 1ndq). MX using synchrotron beamlines at the Diamond Light Source with beam dimensions of 20 x 20 microm was subsequently used to study the largest crystals present in the suspension, with diffraction data being collected from two single crystals ( approximately 20 x 20 x 60 microm) to resolutions of 1.40 and 1.57 A, respectively. Both structures also belonged to space group P212121, but were quite distinct from the dominant form identified by XRPD, with unit-cell parameters a = 53.04, b = 57.55, c = 71.37 A and a = 52.72, b = 57.13, c = 65.86 A, respectively, and refined to R = 10.8% and Rfree = 15.5% and to R = 14.1% and Rfree = 18.0%, respectively. They are also different from any of the forms previously reported in the PDB. A controlled crystallization experiment with a highly purified Savinase sample allowed the growth of single crystals of the form identified by XRPD; their structure was solved and refined to a resolution of 1.17 A with an R of 9.2% and an Rfree of 11.8%. Thus, there are at least three polymorphs present in the production suspension, albeit with the 1ndq-like microcrystals predominating. It is shown how the two techniques can provide invaluable and complementary information for such a production suspension and it is proposed that XRPD provides an excellent quality-control tool for such suspensions. | |||
Analysis of an industrial production suspension of Bacillus lentus subtilisin crystals by powder diffraction: a powerful quality-control tool.,Frankaer CG, Moroz OV, Turkenburg JP, Aspmo SI, Thymark M, Friis EP, Stahl K, Nielsen JE, Wilson KS, Harris P Acta Crystallogr D Biol Crystallogr. 2014 Apr 1;70(Pt 4):1115-23. doi:, 10.1107/S1399004714001497. Epub 2014 Mar 21. PMID:24699655<ref>PMID:24699655</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 4cfy" style="background-color:#fffaf0;"></div> | |||
==See Also== | |||
*[[Subtilisin 3D structures|Subtilisin 3D structures]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Large Structures]] | |||
[[Category: Lederbergia lenta]] | |||
[[Category: Aspmo SI]] | |||
[[Category: Frankaer CG]] | |||
[[Category: Friis EP]] | |||
[[Category: Harris P]] | |||
[[Category: Moroz OV]] | |||
[[Category: Nielsen JE]] | |||
[[Category: Stahla K]] | |||
[[Category: Thymark M]] | |||
[[Category: Turkenburg JP]] | |||
[[Category: Wilson KS]] | |||