7g7c: Difference between revisions
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==Crystal Structure of rat Autotaxin in complex with 4-[3-[5-chloro-4-methyl-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methoxy]phenyl]-4-fluorobenzoyl]-1-methylpiperazin-2-one, i.e. SMILES c1(cc(c2cc(Cl)c(C)cc2OCC2=NNC(=O)N2C)c(F)cc1)C(=O)N1CCN(C(=O)C1)C with IC50=0.0470407 microM== | |||
<StructureSection load='7g7c' size='340' side='right'caption='[[7g7c]], [[Resolution|resolution]] 1.79Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[7g7c]] 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=7G7C OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7G7C 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]] 1.79Å</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=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=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=Y1K:4-[3-[5-chloranyl-4-methyl-2-[(4-methyl-5-oxidanylidene-1~{H}-1,2,4-triazol-3-yl)methoxy]phenyl]-4-fluoranyl-phenyl]carbonyl-1-methyl-piperazin-2-one'>Y1K</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=7g7c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7g7c OCA], [https://pdbe.org/7g7c PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7g7c RCSB], [https://www.ebi.ac.uk/pdbsum/7g7c PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7g7c 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: Rudolph MG]] | |||
[[Category: Stihle M]] | |||
Latest revision as of 06:22, 18 December 2024
Crystal Structure of rat Autotaxin in complex with 4-[3-[5-chloro-4-methyl-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methoxy]phenyl]-4-fluorobenzoyl]-1-methylpiperazin-2-one, i.e. SMILES c1(cc(c2cc(Cl)c(C)cc2OCC2=NNC(=O)N2C)c(F)cc1)C(=O)N1CCN(C(=O)C1)C with IC50=0.0470407 microM
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