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4aba

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==Fragments bound to bovine trypsin for the SAMPL challenge==
==Fragments bound to bovine trypsin for the SAMPL challenge==
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<StructureSection load='4aba' size='340' side='right' caption='[[4aba]], [[Resolution|resolution]] 1.25&Aring;' scene=''>
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<StructureSection load='4aba' size='340' side='right'caption='[[4aba]], [[Resolution|resolution]] 1.25&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4aba]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4ABA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4ABA FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4aba]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4ABA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4ABA 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=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=SW1:1-[2-(THIOPHEN-2-YL)-1,3-THIAZOL-4-YL]METHANAMINE'>SW1</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]] 1.25&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5ptp|5ptp]], [[1o2s|1o2s]], [[1o2t|1o2t]], [[1bjv|1bjv]], [[1c2d|1c2d]], [[1c2e|1c2e]], [[1mts|1mts]], [[1tps|1tps]], [[1tng|1tng]], [[1o2m|1o2m]], [[1c1p|1c1p]], [[1jrt|1jrt]], [[2btc|2btc]], [[1c1t|1c1t]], [[1tnk|1tnk]], [[1o2x|1o2x]], [[1d6r|1d6r]], [[1o38|1o38]], [[1c2h|1c2h]], [[1utp|1utp]], [[1f2s|1f2s]], [[1gi1|1gi1]], [[1tio|1tio]], [[1v2k|1v2k]], [[1tpo|1tpo]], [[2blw|2blw]], [[1v2o|1v2o]], [[2fx6|2fx6]], [[1c1n|1c1n]], [[1y3u|1y3u]], [[1y3x|1y3x]], [[1c5p|1c5p]], [[1o2i|1o2i]], [[1c2j|1c2j]], [[1n6x|1n6x]], [[1c5u|1c5u]], [[1o3m|1o3m]], [[1k1o|1k1o]], [[1v2v|1v2v]], [[1y5u|1y5u]], [[1ghz|1ghz]], [[2fi3|2fi3]], [[1qb1|1qb1]], [[2ptc|2ptc]], [[1k1l|1k1l]], [[2tgd|2tgd]], [[1y5b|1y5b]], [[1c5t|1c5t]], [[1p2j|1p2j]], [[1smf|1smf]], [[1btp|1btp]], [[1ppe|1ppe]], [[2ayw|2ayw]], [[1btx|1btx]], [[2by8|2by8]], [[1gi6|1gi6]], [[1cu8|1cu8]], [[1c5q|1c5q]], [[1ntp|1ntp]], [[1qb9|1qb9]], [[1g3e|1g3e]], [[1o35|1o35]], [[3btk|3btk]], [[1ejm|1ejm]], [[3ptn|3ptn]], [[1uto|1uto]], [[1o3h|1o3h]], [[2fi4|2fi4]], [[1o3i|1o3i]], [[1y3y|1y3y]], [[1o2k|1o2k]], [[1ppc|1ppc]], [[1o3d|1o3d]], [[1o2y|1o2y]], [[1j8a|1j8a]], [[1c1q|1c1q]], [[1o2l|1o2l]], [[1y59|1y59]], [[2tgt|2tgt]], [[3btm|3btm]], [[1v2s|1v2s]], [[1xui|1xui]], [[1o2o|1o2o]], [[1ql8|1ql8]], [[3btf|3btf]], [[1s0q|1s0q]], [[1bju|1bju]], [[1o2w|1o2w]], [[1qb6|1qb6]], [[1o39|1o39]], [[1gi5|1gi5]], [[1tab|1tab]], [[1gi2|1gi2]], [[1g3d|1g3d]], [[1cu7|1cu7]], [[1tpa|1tpa]], [[1o2h|1o2h]], [[2ftl|2ftl]], [[1v2r|1v2r]], [[1mtv|1mtv]], [[1o3l|1o3l]], [[1o2r|1o2r]], [[1tx8|1tx8]], [[1v2j|1v2j]], [[3bth|3bth]], [[1c2i|1c2i]], [[1o3c|1o3c]], [[1o3k|1o3k]], [[1ezx|1ezx]], [[1k1m|1k1m]], [[1utn|1utn]], [[1ce5|1ce5]], [[2by7|2by7]], [[1o32|1o32]], [[1k1i|1k1i]], [[1max|1max]], [[1yp9|1yp9]], [[1tgc|1tgc]], [[1oph|1oph]], [[3bte|3bte]], [[1v2n|1v2n]], [[3tpi|3tpi]], [[1eb2|1eb2]], [[2tio|2tio]], [[2tld|2tld]], [[1bty|1bty]], [[2ptn|2ptn]], [[2fi5|2fi5]], [[2tga|2tga]], [[1c2l|1c2l]], [[1v2t|1v2t]], [[1o2v|1o2v]], [[1o36|1o36]], [[2cmy|2cmy]], [[1f0u|1f0u]], [[1tgt|1tgt]], [[2by6|2by6]], [[1o33|1o33]], [[1c2f|1c2f]], [[3btq|3btq]], [[1az8|1az8]], [[1tgb|1tgb]], [[1qcp|1qcp]], [[1o3e|1o3e]], [[3btt|3btt]], [[1o3o|1o3o]], [[1p2i|1p2i]], [[1tx7|1tx7]], [[1c2m|1c2m]], [[1o30|1o30]], [[1sbw|1sbw]], [[1y5a|1y5a]], [[1aq7|1aq7]], [[1o2z|1o2z]], [[1s0r|1s0r]], [[1qbo|1qbo]], [[1oyq|1oyq]], [[1btw|1btw]], [[1xuj|1xuj]], [[1utq|1utq]], [[1v2q|1v2q]], [[1mtu|1mtu]], [[1tgn|1tgn]], [[1k1p|1k1p]], [[1k1j|1k1j]], [[1gi3|1gi3]], [[1tpp|1tpp]], [[1o2q|1o2q]], [[1o3a|1o3a]], [[1hj9|1hj9]], [[1g9i|1g9i]], [[1c9t|1c9t]], [[1gi4|1gi4]], [[1ox1|1ox1]], [[2ftm|2ftm]], [[2xtt|2xtt]], [[1v2w|1v2w]], [[2blv|2blv]], [[1ql7|1ql7]], [[1g3b|1g3b]], [[1tld|1tld]], [[1mtw|1mtw]], [[1qa0|1qa0]], [[1lqe|1lqe]], [[1tnh|1tnh]], [[1o3f|1o3f]], [[1xug|1xug]], [[1o3b|1o3b]], [[1o3j|1o3j]], [[1rxp|1rxp]], [[1c1r|1c1r]], [[1tni|1tni]], [[1btz|1btz]], [[1y3v|1y3v]], [[3btw|3btw]], [[1v2m|1v2m]], [[1nc6|1nc6]], [[1o2u|1o2u]], [[1yyy|1yyy]], [[1c2g|1c2g]], [[3btd|3btd]], [[1c1s|1c1s]], [[1taw|1taw]], [[1zzz|1zzz]], [[2tgp|2tgp]], [[1jrs|1jrs]], [[1tnl|1tnl]], [[2fx4|2fx4]], [[1c1o|1c1o]], [[1f0t|1f0t]], [[1n6y|1n6y]], [[1zr0|1zr0]], [[1k1n|1k1n]], [[1jir|1jir]], [[1v2u|1v2u]], [[1may|1may]], [[2by5|2by5]], [[2ah4|2ah4]], [[1gi0|1gi0]], [[1xuk|1xuk]], [[2uuy|2uuy]], [[1tyn|1tyn]], [[1tgs|1tgs]], [[1o31|1o31]], [[1v2p|1v2p]], [[2a7h|2a7h]], [[2tpi|2tpi]], [[1o37|1o37]], [[1qbn|1qbn]], [[2bya|2bya]], [[1v2l|1v2l]], [[1o2j|1o2j]], [[4tpi|4tpi]], [[1sfi|1sfi]], [[1p2k|1p2k]], [[1o34|1o34]], [[1g36|1g36]], [[1xuh|1xuh]], [[2bza|2bza]], [[1c5v|1c5v]], [[1g3c|1g3c]], [[1gbt|1gbt]], [[3btg|3btg]], [[1pph|1pph]], [[1cu9|1cu9]], [[1o3n|1o3n]], [[3ptb|3ptb]], [[1o3g|1o3g]], [[1c5s|1c5s]], [[1xuf|1xuf]], [[1c5r|1c5r]], [[1tnj|1tnj]], [[2by9|2by9]], [[1o2n|1o2n]], [[1c2k|1c2k]], [[1gj6|1gj6]], [[1y3w|1y3w]], [[1auj|1auj]], [[1o2p|1o2p]], [[2j9n|2j9n]], [[4abd|4abd]], [[4abg|4abg]], [[4ab8|4ab8]], [[4ab9|4ab9]], [[4abf|4abf]], [[4abb|4abb]], [[4abh|4abh]], [[4abe|4abe]]</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=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=SW1:1-[2-(THIOPHEN-2-YL)-1,3-THIAZOL-4-YL]METHANAMINE'>SW1</scene></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] </span></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=4aba FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4aba OCA], [https://pdbe.org/4aba PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4aba RCSB], [https://www.ebi.ac.uk/pdbsum/4aba PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4aba ProSAT]</span></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=4aba FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4aba OCA], [http://pdbe.org/4aba PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4aba RCSB], [http://www.ebi.ac.uk/pdbsum/4aba PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4aba ProSAT]</span></td></tr>
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</table>
</table>
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== Function ==
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[https://www.uniprot.org/uniprot/TRY1_BOVIN TRY1_BOVIN]
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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==See Also==
==See Also==
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*[[Trypsin|Trypsin]]
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*[[Trypsin 3D structures|Trypsin 3D structures]]
== References ==
== References ==
<references/>
<references/>
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</StructureSection>
</StructureSection>
[[Category: Bos taurus]]
[[Category: Bos taurus]]
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[[Category: Trypsin]]
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[[Category: Large Structures]]
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[[Category: Newman, J]]
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[[Category: Newman J]]
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[[Category: Peat, T S]]
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[[Category: Peat TS]]
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[[Category: Fragment screening]]
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[[Category: Hydrolase]]
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[[Category: Modelling]]
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Current revision

Fragments bound to bovine trypsin for the SAMPL challenge

PDB ID 4aba

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