View source for 1qys


==Crystal structure of Top7: A computationally designed protein with a novel fold==
<StructureSection load='1qys' size='340' side='right'caption='[[1qys]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1qys]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Computationally_Designed_Sequence Computationally Designed Sequence]. The October 2005 RCSB PDB [https://pdb.rcsb.org/pdb/static.do?p=education_discussion/molecule_of_the_month/index.html Molecule of the Month] feature on ''Designer Proteins''  by David S. Goodsell is [https://dx.doi.org/10.2210/rcsb_pdb/mom_2005_10 10.2210/rcsb_pdb/mom_2005_10]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QYS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1QYS 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]] 2.5&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</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=1qys FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qys OCA], [https://pdbe.org/1qys PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1qys RCSB], [https://www.ebi.ac.uk/pdbsum/1qys PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1qys ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
A major challenge of computational protein design is the creation of novel proteins with arbitrarily chosen three-dimensional structures. Here, we used a general computational strategy that iterates between sequence design and structure prediction to design a 93-residue alpha/beta protein called Top7 with a novel sequence and topology. Top7 was found experimentally to be folded and extremely stable, and the x-ray crystal structure of Top7 is similar (root mean square deviation equals 1.2 angstroms) to the design model. The ability to design a new protein fold makes possible the exploration of the large regions of the protein universe not yet observed in nature.

Design of a novel globular protein fold with atomic-level accuracy.,Kuhlman B, Dantas G, Ireton GC, Varani G, Stoddard BL, Baker D Science. 2003 Nov 21;302(5649):1364-8. PMID:14631033<ref>PMID:14631033</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 1qys" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Computationally Designed Sequence]]
[[Category: Designer Proteins]]
[[Category: Large Structures]]
[[Category: RCSB PDB Molecule of the Month]]
[[Category: Baker D]]
[[Category: Dantas G]]
[[Category: Ireton GC]]
[[Category: Kuhlman B]]
[[Category: Stoddard BL]]
[[Category: Varani G]]