6w70
From Proteopedia
(Difference between revisions)
| Line 1: | Line 1: | ||
==Crystal Structure of apixaban-bound ABLE== | ==Crystal Structure of apixaban-bound ABLE== | ||
| - | <StructureSection load='6w70' size='340' side='right'caption='[[6w70]]' scene=''> | + | <StructureSection load='6w70' size='340' side='right'caption='[[6w70]], [[Resolution|resolution]] 1.30Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6W70 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6W70 FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[6w70]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Synthetic_construct_sequences Synthetic construct sequences]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6W70 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6W70 FirstGlance]. <br> |
| - | </td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6w70 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6w70 OCA], [http://pdbe.org/6w70 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6w70 RCSB], [http://www.ebi.ac.uk/pdbsum/6w70 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6w70 ProSAT]</span></td></tr> | + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GG2:1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE'>GG2</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr> |
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[6w6x|6w6x]]</td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6w70 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6w70 OCA], [http://pdbe.org/6w70 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6w70 RCSB], [http://www.ebi.ac.uk/pdbsum/6w70 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6w70 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The de novo design of proteins that bind highly functionalized small molecules represents a great challenge. To enable computational design of binders, we developed a unit of protein structure-a van der Mer (vdM)-that maps the backbone of each amino acid to statistically preferred positions of interacting chemical groups. Using vdMs, we designed six de novo proteins to bind the drug apixaban; two bound with low and submicromolar affinity. X-ray crystallography and mutagenesis confirmed a structure with a precisely designed cavity that forms favorable interactions in the drug-protein complex. vdMs may enable design of functional proteins for applications in sensing, medicine, and catalysis. | ||
| + | |||
| + | A defined structural unit enables de novo design of small-molecule-binding proteins.,Polizzi NF, DeGrado WF Science. 2020 Sep 4;369(6508):1227-1233. doi: 10.1126/science.abb8330. PMID:32883865<ref>PMID:32883865</ref> | ||
| + | |||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 6w70" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
| - | [[Category: Polizzi | + | [[Category: Synthetic construct sequences]] |
| + | [[Category: Polizzi, N F]] | ||
| + | [[Category: 4-helix bundle]] | ||
| + | [[Category: De novo]] | ||
| + | [[Category: De novo protein]] | ||
| + | [[Category: Ligand-binding]] | ||
Revision as of 11:29, 23 September 2020
Crystal Structure of apixaban-bound ABLE
| |||||||||||
