7g6x: Difference between revisions
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==Crystal Structure of rat Autotaxin in complex with N-[(3,4-dichlorophenyl)methyl]-2-[4-oxo-6-[4-(4-sulfamoylbutanoyl)piperazin-1-yl]quinazolin-3-yl]acetamide, i.e. SMILES NS(=O)(=O)CCCC(=O)N1CCN(c2ccc3c(c2)C(=O)N(C=N3)CC(=O)NCc2ccc(c(c2)Cl)Cl)CC1 with IC50=0.00464057 microM== | |||
<StructureSection load='7g6x' size='340' side='right'caption='[[7g6x]], [[Resolution|resolution]] 1.54Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[7g6x]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7G6X OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7G6X 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]] 1.54Å</td></tr> | |||
[[Category: | <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=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=Y4N:~{N}-[(3,4-dichlorophenyl)methyl]-2-[4-oxidanylidene-6-[4-(4-sulfamoylbutanoyl)piperazin-1-yl]quinazolin-3-yl]ethanamide'>Y4N</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=7g6x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7g6x OCA], [https://pdbe.org/7g6x PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7g6x RCSB], [https://www.ebi.ac.uk/pdbsum/7g6x PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7g6x ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/ENPP2_RAT ENPP2_RAT] | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Large Structures]] | |||
[[Category: Rattus norvegicus]] | |||
[[Category: Benz J]] | |||
[[Category: Hunziker D]] | |||
[[Category: Martin-Rainer E]] | |||
[[Category: Rudolph MG]] | |||
[[Category: Stihle M]] | |||