3bwk

From Proteopedia

(Difference between revisions)

Current revision

Crystal Structure of Falcipain-3 with Its inhibitor, K11017

Structural highlights

3bwk is a 4 chain structure with sequence from Plasmodium falciparum. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:	X-ray diffraction, Resolution 2.42Å
Ligands:	,
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

FPC3_PLAF7 Cysteine protease which cleaves native host hemoglobin and globin in the food vacuole during the asexual blood stage (PubMed:11716777, PubMed:19357776). Preferentially cleaves substrates which have an arginine at the P1 position and a leucine at the P2 position (PubMed:19357776).^[1] ^[2]

Evolutionary Conservation

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

Publication Abstract from PubMed

Cysteine proteases of the papain superfamily are implicated in a number of cellular processes and are important virulence factors in the pathogenesis of parasitic disease. These enzymes have therefore emerged as promising targets for antiparasitic drugs. We report the crystal structures of three major parasite cysteine proteases, cruzain, falcipain-3, and the first reported structure of rhodesain, in complex with a class of potent, small molecule, cysteine protease inhibitors, the vinyl sulfones. These data, in conjunction with comparative inhibition kinetics, provide insight into the molecular mechanisms that drive cysteine protease inhibition by vinyl sulfones, the binding specificity of these important proteases and the potential of vinyl sulfones as antiparasitic drugs.

Vinyl sulfones as antiparasitic agents and a structural basis for drug design.,Kerr ID, Lee JH, Farady CJ, Marion R, Rickert M, Sajid M, Pandey KC, Caffrey CR, Legac J, Hansell E, McKerrow JH, Craik CS, Rosenthal PJ, Brinen LS J Biol Chem. 2009 Sep 18;284(38):25697-703. Epub 2009 Jul 20. PMID:19620707^[3]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Sijwali PS, Shenai BR, Gut J, Singh A, Rosenthal PJ. Expression and characterization of the Plasmodium falciparum haemoglobinase falcipain-3. Biochem J. 2001 Dec 1;360(Pt 2):481-9. PMID:11716777 doi:10.1042/0264-6021:3600481
↑ Subramanian S, Hardt M, Choe Y, Niles RK, Johansen EB, Legac J, Gut J, Kerr ID, Craik CS, Rosenthal PJ. Hemoglobin cleavage site-specificity of the Plasmodium falciparum cysteine proteases falcipain-2 and falcipain-3. PLoS One. 2009;4(4):e5156. PMID:19357776 doi:10.1371/journal.pone.0005156
↑ Kerr ID, Lee JH, Farady CJ, Marion R, Rickert M, Sajid M, Pandey KC, Caffrey CR, Legac J, Hansell E, McKerrow JH, Craik CS, Rosenthal PJ, Brinen LS. Vinyl sulfones as antiparasitic agents and a structural basis for drug design. J Biol Chem. 2009 Sep 18;284(38):25697-703. Epub 2009 Jul 20. PMID:19620707 doi:10.1074/jbc.M109.014340

1 Structural highlights
2 Function
3 Evolutionary Conservation
4 Publication Abstract from PubMed
5 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/3bwk"

Categories: Large Structures | Plasmodium falciparum | Brinen LS | Kerr I | Lee JH

@@ Line 3: / Line 3: @@
 <StructureSection load='3bwk' size='340' side='right'caption='[[3bwk]], [[Resolution|resolution]] 2.42&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[3bwk]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BWK OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=3BWK FirstGlance]. <br>
+<table><tr><td colspan='2'>[[3bwk]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BWK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3BWK FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=C1P:N~2~-(MORPHOLIN-4-YLCARBONYL)-N-[(3S)-1-PHENYL-5-(PHENYLSULFONYL)PENTAN-3-YL]-L-LEUCINAMIDE'>C1P</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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]] 2.42&#8491;</td></tr>
-<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3bpm|3bpm]], [[3bpf|3bpf]], [[1yvb|1yvb]], [[2ghu|2ghu]], [[1aim|1aim]]</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=C1P:N~2~-(MORPHOLIN-4-YLCARBONYL)-N-[(3S)-1-PHENYL-5-(PHENYLSULFONYL)PENTAN-3-YL]-L-LEUCINAMIDE'>C1P</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=3bwk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bwk OCA], [http://pdbe.org/3bwk PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3bwk RCSB], [http://www.ebi.ac.uk/pdbsum/3bwk PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3bwk ProSAT]</span></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=3bwk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bwk OCA], [https://pdbe.org/3bwk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3bwk RCSB], [https://www.ebi.ac.uk/pdbsum/3bwk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3bwk ProSAT]</span></td></tr>
 </table>
+== Function ==
+[https://www.uniprot.org/uniprot/FPC3_PLAF7 FPC3_PLAF7] Cysteine protease which cleaves native host hemoglobin and globin in the food vacuole during the asexual blood stage (PubMed:11716777, PubMed:19357776). Preferentially cleaves substrates which have an arginine at the P1 position and a leucine at the P2 position (PubMed:19357776).<ref>PMID:11716777</ref> <ref>PMID:19357776</ref>
 == Evolutionary Conservation ==
 [[Image:Consurf_key_small.gif|200px|right]]
@@ Line 13: / Line 15: @@
   <jmolCheckbox>
     <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/bw/3bwk_consurf.spt"</scriptWhenChecked>
-    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
     <text>to colour the structure by Evolutionary Conservation</text>
   </jmolCheckbox>
@@ Line 33: / Line 35: @@
 [[Category: Large Structures]]
 [[Category: Plasmodium falciparum]]
-[[Category: Brinen, L S]]
+[[Category: Brinen LS]]
-[[Category: Kerr, I]]
+[[Category: Kerr I]]
-[[Category: Lee, J H]]
+[[Category: Lee JH]]
-[[Category: Cysteine protease]]
-[[Category: Falcipain]]
-[[Category: Hydrolase]]
-[[Category: Malaria]]

3bwk

From Proteopedia

Current revision

Crystal Structure of Falcipain-3 with Its inhibitor, K11017

Structural highlights

Function

Evolutionary Conservation

Publication Abstract from PubMed

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

Views

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