2vnn: Difference between revisions
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==Human BACE-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-1- methyl-3,4-dihydro-1H-(1,2,5)thiadiazepino(3,4,5-hi)indole-9- carboxamide 2,2-dioxide== | ==Human BACE-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-1- methyl-3,4-dihydro-1H-(1,2,5)thiadiazepino(3,4,5-hi)indole-9- carboxamide 2,2-dioxide== | ||
<StructureSection load='2vnn' size='340' side='right' caption='[[2vnn]], [[Resolution|resolution]] 1.87Å' scene=''> | <StructureSection load='2vnn' size='340' side='right'caption='[[2vnn]], [[Resolution|resolution]] 1.87Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[2vnn]] is a 1 chain structure with sequence from [ | <table><tr><td colspan='2'>[[2vnn]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VNN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2VNN FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CM7:N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-7-ETHYL-1-METHYL-3,4-DIHYDRO-1H-[1,2,5]THIADIAZEPINO[3,4,5-HI]INDOLE-9-CARBOXAMIDE+2,2-DIOXIDE'>CM7</scene | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.87Å</td></tr> | ||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CM7:N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-7-ETHYL-1-METHYL-3,4-DIHYDRO-1H-[1,2,5]THIADIAZEPINO[3,4,5-HI]INDOLE-9-CARBOXAMIDE+2,2-DIOXIDE'>CM7</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=2vnn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vnn OCA], [https://pdbe.org/2vnn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2vnn RCSB], [https://www.ebi.ac.uk/pdbsum/2vnn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2vnn ProSAT]</span></td></tr> | |||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | |||
</table> | </table> | ||
== Function == | == Function == | ||
[ | [https://www.uniprot.org/uniprot/BACE1_HUMAN BACE1_HUMAN] Responsible for the proteolytic processing of the amyloid precursor protein (APP). Cleaves at the N-terminus of the A-beta peptide sequence, between residues 671 and 672 of APP, leads to the generation and extracellular release of beta-cleaved soluble APP, and a corresponding cell-associated C-terminal fragment which is later released by gamma-secretase.<ref>PMID:10677483</ref> <ref>PMID:20354142</ref> | ||
== Evolutionary Conservation == | == Evolutionary Conservation == | ||
[[Image:Consurf_key_small.gif|200px|right]] | [[Image:Consurf_key_small.gif|200px|right]] | ||
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<jmolCheckbox> | <jmolCheckbox> | ||
<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/vn/2vnn_consurf.spt"</scriptWhenChecked> | <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/vn/2vnn_consurf.spt"</scriptWhenChecked> | ||
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/ | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked> | ||
<text>to colour the structure by Evolutionary Conservation</text> | <text>to colour the structure by Evolutionary Conservation</text> | ||
</jmolCheckbox> | </jmolCheckbox> | ||
| Line 32: | Line 31: | ||
==See Also== | ==See Also== | ||
*[[Beta secretase|Beta secretase]] | *[[Beta secretase 3D structures|Beta secretase 3D structures]] | ||
== References == | == References == | ||
<references/> | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: | [[Category: Homo sapiens]] | ||
[[Category: | [[Category: Large Structures]] | ||
[[Category: Charrier | [[Category: Charrier N]] | ||
[[Category: Clarke | [[Category: Clarke B]] | ||
[[Category: Cutler | [[Category: Cutler L]] | ||
[[Category: Demont | [[Category: Demont E]] | ||
[[Category: Dingwall | [[Category: Dingwall C]] | ||
[[Category: Dunsdon | [[Category: Dunsdon R]] | ||
[[Category: East | [[Category: East P]] | ||
[[Category: Hawkins | [[Category: Hawkins J]] | ||
[[Category: Howes | [[Category: Howes C]] | ||
[[Category: Hussain | [[Category: Hussain I]] | ||
[[Category: Jeffrey | [[Category: Jeffrey P]] | ||
[[Category: Maile | [[Category: Maile G]] | ||
[[Category: Matico | [[Category: Matico R]] | ||
[[Category: Mosley | [[Category: Mosley J]] | ||
[[Category: Naylor | [[Category: Naylor A]] | ||
[[Category: OBrien | [[Category: OBrien A]] | ||
[[Category: Redshaw | [[Category: Redshaw S]] | ||
[[Category: Rowland | [[Category: Rowland P]] | ||
[[Category: Smith | [[Category: Smith KJ]] | ||
[[Category: Soleil | [[Category: Soleil V]] | ||
[[Category: Sweitzer | [[Category: Sweitzer S]] | ||
[[Category: Theobald | [[Category: Theobald P]] | ||
[[Category: Vesey | [[Category: Vesey D]] | ||
[[Category: Walter | [[Category: Walter DS]] | ||
[[Category: Wayne | [[Category: Wayne G]] | ||