View source for 7g71


==Crystal Structure of rat Autotaxin in complex with 2-[6-(4-acetylpiperazin-1-yl)-2-methyl-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide, i.e. SMILES C(C(=O)NCc1cc(c(cc1)Cl)Cl)N1C(=O)c2c(ccc(c2)N2CCN(CC2)C(=O)C)N=C1C with IC50=1.2328 microM==
<StructureSection load='7g71' size='340' side='right'caption='[[7g71]], [[Resolution|resolution]] 1.67&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[7g71]] 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=7G71 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7G71 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]] 1.67&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=XXU:~{N}-[(3,4-dichlorophenyl)methyl]-2-[6-(4-ethanoylpiperazin-1-yl)-2-methyl-4-oxidanylidene-quinazolin-3-yl]ethanamide'>XXU</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=7g71 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7g71 OCA], [https://pdbe.org/7g71 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7g71 RCSB], [https://www.ebi.ac.uk/pdbsum/7g71 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7g71 ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/ENPP2_RAT ENPP2_RAT] 
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</StructureSection>
[[Category: Large Structures]]
[[Category: Rattus norvegicus]]
[[Category: Benz J]]
[[Category: Hunziker D]]
[[Category: Nettekoven M]]
[[Category: Rudolph MG]]
[[Category: Stihle M]]