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<StructureSection load='2anl' size='340' side='right'caption='[[2anl]], [[Resolution|resolution]] 3.30&Aring;' scene=''>
<StructureSection load='2anl' size='340' side='right'caption='[[2anl]], [[Resolution|resolution]] 3.30&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[2anl]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Plama Plama]. 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 [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ANL FirstGlance]. <br>
<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='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><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>
</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='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=2anl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2anl OCA], [http://pdbe.org/2anl PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2anl RCSB], [http://www.ebi.ac.uk/pdbsum/2anl PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2anl ProSAT]</span></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>
</table>
== Function ==
[https://www.uniprot.org/uniprot/O60990_PLAMA O60990_PLAMA]
== Evolutionary Conservation ==
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
[[Image:Consurf_key_small.gif|200px|right]]
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</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].
</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>
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
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.
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:16510971<ref>PMID:16510971</ref>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 2anl" style="background-color:#fffaf0;"></div>


==See Also==
==See Also==
*[[Plasmepsin|Plasmepsin]]
*[[Plasmepsin|Plasmepsin]]
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Plama]]
[[Category: Plasmodium malariae]]
[[Category: Agbandje-McKenna, M]]
[[Category: Agbandje-McKenna M]]
[[Category: Clemente, J C]]
[[Category: Clemente JC]]
[[Category: Dame, J B]]
[[Category: Dame JB]]
[[Category: Dunn, B M]]
[[Category: Dunn BM]]
[[Category: Fisher, S Z]]
[[Category: Fisher SZ]]
[[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, R E]]
[[Category: Moose RE]]
[[Category: Yowell, C A]]
[[Category: Yowell CA]]
[[Category: Aspartic protease]]
[[Category: Hydrolase]]
[[Category: Hydrolase-hydrolase inhibitor complex]]
[[Category: Plasmepsin 4]]
[[Category: Plasmodium parasite]]

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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