2anl: Difference between revisions

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New page: left|200px<br /><applet load="2anl" size="350" color="white" frame="true" align="right" spinBox="true" caption="2anl, resolution 3.3Å" /> '''X-ray crystal structu...
 
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[[Image:2anl.gif|left|200px]]<br /><applet load="2anl" size="350" color="white" frame="true" align="right" spinBox="true"
caption="2anl, resolution 3.3&Aring;" />
'''X-ray crystal structure of the aspartic protease plasmepsin 4 from the malarial parasite plasmodium malariae bound to an allophenylnorstatine based inhibitor'''<br />


==Overview==
==X-ray crystal structure of the aspartic protease plasmepsin 4 from the malarial parasite plasmodium malariae bound to an allophenylnorstatine based inhibitor==
The malarial parasite continues to be one of the leading causes of death, in many developing countries. With the development of resistance to the, currently available treatments, the discovery of new therapeutics is, imperative. Currently, the plasmepsin enzymes found in the food vacuole of, the parasite are a chief target for drug development., Allophenylnorstatine-based compounds originally designed to inhibit HIV-1, protease have shown efficacy against all four plasmepsin enzymes found in, the food vacuole of Plasmodium falciparum. In this study, the first, crystal structure of P. malariae plasmepsin 4 (PmPM4) bound to the, allophenylnorstatine-based compound KNI-764 is described at 3.3 Angstroms, resolution. The PmPM4-inhibitor complex crystallized in the orthorhombic, space group P2(1)2(1)2, with unit-cell parameters a = 95.9, b = 112.6, c =, 90.4 Angstroms, with two molecules in the asymmetric unit related by a, non-crystallographic symmetry operator. The structure was refined to a, final R factor of 24.7%. The complex showed the inhibitor in an unexpected, binding orientation with allophenylnorstatine occupying the S1' pocket., The P2 group was found outside the S2 pocket, wedged between the flap and, a juxtaposed loop. Inhibition analysis of PmPM4 also suggests the, potential for allophenylnorstatine-based compounds to be effective against, all species of malaria infecting humans and for the future development of, a broad-based inhibitor.
<StructureSection load='2anl' size='340' side='right'caption='[[2anl]], [[Resolution|resolution]] 3.30&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[2anl]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_malariae Plasmodium malariae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ANL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2ANL 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]] 3.3&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=JE2:(4R)-3-{(2S,3S)-2-HYDROXY-3-[(3-HYDROXY-2-METHYLBENZOYL)AMINO]-4-PHENYLBUTANOYL}-5,5-DIMETHYL-N-(2-METHYLBENZYL)-1,3-THIAZOLIDINE-4-CARBOXAMIDE'>JE2</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=2anl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2anl OCA], [https://pdbe.org/2anl PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2anl RCSB], [https://www.ebi.ac.uk/pdbsum/2anl PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2anl ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/O60990_PLAMA O60990_PLAMA]
== 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/an/2anl_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/main_output.php?pdb_ID=2anl ConSurf].
<div style="clear:both"></div>


==About this Structure==
==See Also==
2ANL is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Plasmodium_malariae Plasmodium malariae] with <scene name='pdbligand=JE2:'>JE2</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ANL OCA].
*[[Plasmepsin|Plasmepsin]]
 
__TOC__
==Reference==
</StructureSection>
Structure of the aspartic protease plasmepsin 4 from the malarial parasite Plasmodium malariae bound to an allophenylnorstatine-based inhibitor., Clemente JC, Govindasamy L, Madabushi A, Fisher SZ, Moose RE, Yowell CA, Hidaka K, Kimura T, Hayashi Y, Kiso Y, Agbandje-McKenna M, Dame JB, Dunn BM, McKenna R, Acta Crystallogr D Biol Crystallogr. 2006 Mar;62(Pt 3):246-52. Epub 2006, Feb 22. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16510971 16510971]
[[Category: Large Structures]]
[[Category: Plasmodium malariae]]
[[Category: Plasmodium malariae]]
[[Category: Single protein]]
[[Category: Agbandje-McKenna M]]
[[Category: Agbandje-McKenna, M.]]
[[Category: Clemente JC]]
[[Category: Clemente, J.C.]]
[[Category: Dame JB]]
[[Category: Dame, J.B.]]
[[Category: Dunn BM]]
[[Category: Dunn, B.M.]]
[[Category: Fisher SZ]]
[[Category: Fisher, S.Z.]]
[[Category: Govindasamy L]]
[[Category: Govindasamy, L.]]
[[Category: Hayashi Y]]
[[Category: Hayashi, Y.]]
[[Category: Hidaka K]]
[[Category: Hidaka, K.]]
[[Category: Kimura T]]
[[Category: Kimura, T.]]
[[Category: Kiso Y]]
[[Category: Kiso, Y.]]
[[Category: Madabushi A]]
[[Category: Madabushi, A.]]
[[Category: McKenna R]]
[[Category: McKenna, R.]]
[[Category: Moose RE]]
[[Category: Moose, R.E.]]
[[Category: Yowell CA]]
[[Category: Yowell, C.A.]]
[[Category: JE2]]
[[Category: aspartic protease]]
[[Category: plasmepsin 4]]
[[Category: plasmodium parasite]]
[[Category: x-ray structure]]
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jan 29 18:06:11 2008''

Latest revision as of 09:23, 3 April 2024

X-ray crystal structure of the aspartic protease plasmepsin 4 from the malarial parasite plasmodium malariae bound to an allophenylnorstatine based inhibitorX-ray crystal structure of the aspartic protease plasmepsin 4 from the malarial parasite plasmodium malariae bound to an allophenylnorstatine based inhibitor

Structural highlights

2anl is a 2 chain structure with sequence from Plasmodium malariae. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 3.3Å
Ligands:
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

O60990_PLAMA

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

See Also

2anl, resolution 3.30Å

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