1eb2
From Proteopedia
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| - | [[ | + | ==TRYPSIN INHIBITOR COMPLEX (BPO)== |
| + | <StructureSection load='1eb2' size='340' side='right' caption='[[1eb2]], [[Resolution|resolution]] 2.00Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[1eb2]] 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=1EB2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1EB2 FirstGlance]. <br> | ||
| + | </td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BPO:3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPERIDINYL)-2-OXO-1-PHENYLETHYL]BENZAMIDE'>BPO</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br> | ||
| + | <tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1aq7|1aq7]], [[1auj|1auj]], [[1az8|1az8]], [[1bju|1bju]], [[1bjv|1bjv]], [[1btp|1btp]], [[1btw|1btw]], [[1btx|1btx]], [[1bty|1bty]], [[1btz|1btz]], [[1c1n|1c1n]], [[1c1o|1c1o]], [[1c1p|1c1p]], [[1c1q|1c1q]], [[1c1r|1c1r]], [[1c1s|1c1s]], [[1c1t|1c1t]], [[1c2d|1c2d]], [[1c2e|1c2e]], [[1c2f|1c2f]], [[1c2g|1c2g]], [[1c2h|1c2h]], [[1c2i|1c2i]], [[1c2j|1c2j]], [[1c2k|1c2k]], [[1c2l|1c2l]], [[1c2m|1c2m]], [[1c5p|1c5p]], [[1c5q|1c5q]], [[1c5r|1c5r]], [[1c5s|1c5s]], [[1c5t|1c5t]], [[1c5u|1c5u]], [[1c5v|1c5v]], [[1c9t|1c9t]], [[1ce5|1ce5]], [[1cu7|1cu7]], [[1cu8|1cu8]], [[1cu9|1cu9]], [[1d6r|1d6r]], [[1ejm|1ejm]], [[1ezx|1ezx]], [[1f0t|1f0t]], [[1f0u|1f0u]], [[1f2s|1f2s]], [[1g3b|1g3b]], [[1g3c|1g3c]], [[1g3d|1g3d]], [[1g3e|1g3e]], [[1g9i|1g9i]], [[1gbt|1gbt]], [[1hj9|1hj9]], [[1jrs|1jrs]], [[1jrt|1jrt]], [[1max|1max]], [[1may|1may]], [[1mts|1mts]], [[1mtu|1mtu]], [[1mtv|1mtv]], [[1mtw|1mtw]], [[1ntp|1ntp]], [[1ppc|1ppc]], [[1ppe|1ppe]], [[1pph|1pph]], [[1qa0|1qa0]], [[1qb1|1qb1]], [[1qb6|1qb6]], [[1qb9|1qb9]], [[1qbn|1qbn]], [[1qbo|1qbo]], [[1qcp|1qcp]], [[1ql7|1ql7]], [[1ql8|1ql8]], [[1sbw|1sbw]], [[1sfi|1sfi]], [[1smf|1smf]], [[1tab|1tab]], [[1taw|1taw]], [[1tgb|1tgb]], [[1tgc|1tgc]], [[1tgn|1tgn]], [[1tgs|1tgs]], [[1tgt|1tgt]], [[1tio|1tio]], [[1tld|1tld]], [[1tng|1tng]], [[1tnh|1tnh]], [[1tni|1tni]], [[1tnj|1tnj]], [[1tnk|1tnk]], [[1tnl|1tnl]], [[1tpa|1tpa]], [[1tpo|1tpo]], [[1tpp|1tpp]], [[1tps|1tps]], [[1tyn|1tyn]], [[1xuf|1xuf]], [[1xug|1xug]], [[1xuh|1xuh]], [[1xui|1xui]], [[1xuj|1xuj]], [[1xuk|1xuk]], [[1yyy|1yyy]], [[1zzz|1zzz]], [[2btc|2btc]], [[2bza|2bza]], [[2ptc|2ptc]], [[2ptn|2ptn]], [[2tga|2tga]], [[2tgd|2tgd]], [[2tgp|2tgp]], [[2tgt|2tgt]], [[2tio|2tio]], [[2tld|2tld]], [[2tpi|2tpi]], [[3btd|3btd]], [[3bte|3bte]], [[3btf|3btf]], [[3btg|3btg]], [[3bth|3bth]], [[3btk|3btk]], [[3btm|3btm]], [[3btq|3btq]], [[3btt|3btt]], [[3btw|3btw]], [[3ptb|3ptb]], [[3ptn|3ptn]], [[3tgj|3tgj]], [[3tpi|3tpi]], [[4tpi|4tpi]], [[5ptp|5ptp]]</td></tr> | ||
| + | <tr><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> | ||
| + | <tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1eb2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1eb2 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1eb2 RCSB], [http://www.ebi.ac.uk/pdbsum/1eb2 PDBsum]</span></td></tr> | ||
| + | <table> | ||
| + | == Evolutionary Conservation == | ||
| + | [[Image:Consurf_key_small.gif|200px|right]] | ||
| + | Check<jmol> | ||
| + | <jmolCheckbox> | ||
| + | <scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/eb/1eb2_consurf.spt"</scriptWhenChecked> | ||
| + | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | ||
| + | <text>to colour the structure by Evolutionary Conservation</text> | ||
| + | </jmolCheckbox> | ||
| + | </jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf]. | ||
| + | <div style="clear:both"></div> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | In silico screening of combinatorial libraries prior to synthesis promises to be a valuable aid to lead discovery. PRO_SELECT, a tool for the virtual screening of libraries for fit to a protein active site, has been used to find novel leads against the serine protease factor Xa. A small seed template was built upon using three iterations of library design, virtual screening, synthesis, and biological testing. Highly potent molecules with selectivity for factor Xa over other serine proteases were rapidly obtained. | ||
| - | + | PRO_SELECT: combining structure-based drug design and array-based chemistry for rapid lead discovery. 2. The development of a series of highly potent and selective factor Xa inhibitors.,Liebeschuetz JW, Jones SD, Morgan PJ, Murray CW, Rimmer AD, Roscoe JM, Waszkowycz B, Welsh PM, Wylie WA, Young SC, Martin H, Mahler J, Brady L, Wilkinson K J Med Chem. 2002 Mar 14;45(6):1221-32. PMID:11881991<ref>PMID:11881991</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
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==See Also== | ==See Also== | ||
*[[Trypsin|Trypsin]] | *[[Trypsin|Trypsin]] | ||
| - | + | == References == | |
| - | == | + | <references/> |
| - | < | + | __TOC__ |
| + | </StructureSection> | ||
[[Category: Bos taurus]] | [[Category: Bos taurus]] | ||
[[Category: Trypsin]] | [[Category: Trypsin]] | ||
Revision as of 10:58, 10 September 2014
TRYPSIN INHIBITOR COMPLEX (BPO)
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