7g7j
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==Crystal Structure of rat Autotaxin in complex with 4-[(3aR,6aR)-2-[(E)-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-3-fluorobenzenesulfonamide, i.e. SMILES [C@@H]12CN(C(=O)c3c(cc(cc3)S(=O)(=O)N)F)C[C@H]1CN(C2)C(=O)/C=C/c1ccc(cc1CN1N=NC(=N1)C)C(F)(F)F with IC50=0.00194649 microM== | |
| - | + | <StructureSection load='7g7j' size='340' side='right'caption='[[7g7j]], [[Resolution|resolution]] 1.80Å' scene=''> | |
| - | + | == Structural highlights == | |
| - | + | <table><tr><td colspan='2'>[[7g7j]] 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=7G7J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7G7J 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]] 1.8Å</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=XSB:4-[[(3~{a}~{R},6~{a}~{R})-2-[(~{E})-3-[2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrol-5-yl]carbonyl]-3-fluoranyl-benzenesulfonamide'>XSB</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=7g7j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7g7j OCA], [https://pdbe.org/7g7j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7g7j RCSB], [https://www.ebi.ac.uk/pdbsum/7g7j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7g7j 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: Mattei P]] | ||
| + | [[Category: Rudolph MG]] | ||
| + | [[Category: Stihle M]] | ||
Current revision
Crystal Structure of rat Autotaxin in complex with 4-[(3aR,6aR)-2-[(E)-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-3-fluorobenzenesulfonamide, i.e. SMILES [C@@H]12CN(C(=O)c3c(cc(cc3)S(=O)(=O)N)F)C[C@H]1CN(C2)C(=O)/C=C/c1ccc(cc1CN1N=NC(=N1)C)C(F)(F)F with IC50=0.00194649 microM
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