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5in9

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==Crystal structure of Grp94 bound to methyl 3-chloro-2-(2-(1-((5-chlorofuran-2-yl)methyl)-1H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, an inhibitor based on the BnIm and Radamide scaffolds.==
==Crystal structure of Grp94 bound to methyl 3-chloro-2-(2-(1-((5-chlorofuran-2-yl)methyl)-1H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, an inhibitor based on the BnIm and Radamide scaffolds.==
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<StructureSection load='5in9' size='340' side='right' caption='[[5in9]], [[Resolution|resolution]] 2.60&Aring;' scene=''>
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<StructureSection load='5in9' size='340' side='right'caption='[[5in9]], [[Resolution|resolution]] 2.60&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5in9]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5IN9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5IN9 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5in9]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Canis_lupus_familiaris Canis lupus familiaris]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5IN9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5IN9 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6C0:METHYL+3-CHLORO-2-(2-{1-[(5-CHLOROFURAN-2-YL)METHYL]-1H-IMIDAZOL-2-YL}ETHYL)-4,6-DIHYDROXYBENZOATE'>6C0</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.6&#8491;</td></tr>
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<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=5in9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5in9 OCA], [http://pdbe.org/5in9 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5in9 RCSB], [http://www.ebi.ac.uk/pdbsum/5in9 PDBsum]</span></td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6C0:METHYL+3-CHLORO-2-(2-{1-[(5-CHLOROFURAN-2-YL)METHYL]-1H-IMIDAZOL-2-YL}ETHYL)-4,6-DIHYDROXYBENZOATE'>6C0</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5in9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5in9 OCA], [https://pdbe.org/5in9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5in9 RCSB], [https://www.ebi.ac.uk/pdbsum/5in9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5in9 ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/ENPL_CANLF ENPL_CANLF]] Molecular chaperone that functions in the processing and transport of secreted proteins. When associated with CNPY3, required for proper folding of Toll-like receptors. Functions in endoplasmic reticulum associated degradation (ERAD). Has ATPase activity (By similarity).
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[https://www.uniprot.org/uniprot/ENPL_CANLF ENPL_CANLF] Molecular chaperone that functions in the processing and transport of secreted proteins. When associated with CNPY3, required for proper folding of Toll-like receptors. Functions in endoplasmic reticulum associated degradation (ERAD). Has ATPase activity (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>
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[[Category: Huard, D J.E]]
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[[Category: Canis lupus familiaris]]
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[[Category: Kizziah, J L]]
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[[Category: Large Structures]]
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[[Category: Lieberman, R L]]
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[[Category: Huard DJE]]
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[[Category: Atp binding site]]
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[[Category: Kizziah JL]]
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[[Category: Bnim and radamide scaffold-based inhibitor]]
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[[Category: Lieberman RL]]
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[[Category: Cation-pi interaction]]
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[[Category: Chaperone-inhibitor complex]]
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Current revision

Crystal structure of Grp94 bound to methyl 3-chloro-2-(2-(1-((5-chlorofuran-2-yl)methyl)-1H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, an inhibitor based on the BnIm and Radamide scaffolds.

PDB ID 5in9

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