We apologize for Proteopedia being slow to respond. For the past two years, a new implementation of Proteopedia has been being built. Soon, it will replace this 18-year old system. All existing content will be moved to the new system at a date that will be announced here.

3c84

From Proteopedia

(Difference between revisions)

Jump to: navigation, search

Current revision

Crystal structure of a complex of AChBP from aplysia californica and the neonicotinoid thiacloprid

Structural highlights

3c84 is a 5 chain structure with sequence from Aplysia californica. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:	X-ray diffraction, Resolution 1.94Å
Ligands:	, ,
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

Q8WSF8_APLCA

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

Acetylcholine-binding proteins (AChBPs) from mollusks are suitable structural and functional surrogates of the nicotinic acetylcholine receptors when combined with transmembrane spans of the nicotinic receptor. These proteins assemble as a pentamer with identical ACh binding sites at the subunit interfaces and show ligand specificities resembling those of the nicotinic receptor for agonists and antagonists. A subset of ligands, termed the neonicotinoids, exhibit specificity for insect nicotinic receptors and selective toxicity as insecticides. AChBPs are of neither mammalian nor insect origin and exhibit a distinctive pattern of selectivity for the neonicotinoid ligands. We define here the binding orientation and determinants of differential molecular recognition for the neonicotinoids and classical nicotinoids by estimates of kinetic and equilibrium binding parameters and crystallographic analysis. Neonicotinoid complex formation is rapid and accompanied by quenching of the AChBP tryptophan fluorescence. Comparisons of the neonicotinoids imidacloprid and thiacloprid in the binding site from Aplysia californica AChBP at 2.48 and 1.94 A in resolution reveal a single conformation of the bound ligands with four of the five sites occupied in the pentameric crystal structure. The neonicotinoid electronegative pharmacophore is nestled in an inverted direction compared with the nicotinoid cationic functionality at the subunit interfacial binding pocket. Characteristic of several agonists, loop C largely envelops the ligand, positioning aromatic side chains to interact optimally with conjugated and hydrophobic regions of the neonicotinoid. This template defines the association of interacting amino acids and their energetic contributions to the distinctive interactions of neonicotinoids.

Atomic interactions of neonicotinoid agonists with AChBP: molecular recognition of the distinctive electronegative pharmacophore.,Talley TT, Harel M, Hibbs RE, Radic Z, Tomizawa M, Casida JE, Taylor P Proc Natl Acad Sci U S A. 2008 May 27;105(21):7606-11. Epub 2008 May 13. PMID:18477694^[1]

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

References

↑ Talley TT, Harel M, Hibbs RE, Radic Z, Tomizawa M, Casida JE, Taylor P. Atomic interactions of neonicotinoid agonists with AChBP: molecular recognition of the distinctive electronegative pharmacophore. Proc Natl Acad Sci U S A. 2008 May 27;105(21):7606-11. Epub 2008 May 13. PMID:18477694

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

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/3c84"

@@ Line 3: / Line 3: @@
 <StructureSection load='3c84' size='340' side='right'caption='[[3c84]], [[Resolution|resolution]] 1.94&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[3c84]] is a 5 chain structure with sequence from [http://en.wikipedia.org/wiki/Aplysia_californica Aplysia californica]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3C84 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=3C84 FirstGlance]. <br>
+<table><tr><td colspan='2'>[[3c84]] is a 5 chain structure with sequence from [https://en.wikipedia.org/wiki/Aplysia_californica Aplysia californica]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3C84 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3C84 FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=IPA:ISOPROPYL+ALCOHOL'>IPA</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TH4:{(2Z)-3-[(6-CHLOROPYRIDIN-3-YL)METHYL]-1,3-THIAZOLIDIN-2-YLIDENE}CYANAMIDE'>TH4</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]] 1.94&#8491;</td></tr>
-<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3c79|3c79]]</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=IPA:ISOPROPYL+ALCOHOL'>IPA</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TH4:{(2Z)-3-[(6-CHLOROPYRIDIN-3-YL)METHYL]-1,3-THIAZOLIDIN-2-YLIDENE}CYANAMIDE'>TH4</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=3c84 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3c84 OCA], [http://pdbe.org/3c84 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3c84 RCSB], [http://www.ebi.ac.uk/pdbsum/3c84 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3c84 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=3c84 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3c84 OCA], [https://pdbe.org/3c84 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3c84 RCSB], [https://www.ebi.ac.uk/pdbsum/3c84 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3c84 ProSAT]</span></td></tr>
 </table>
+== Function ==
+[https://www.uniprot.org/uniprot/Q8WSF8_APLCA Q8WSF8_APLCA]
 == 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/c8/3c84_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 36: / Line 38: @@
 [[Category: Aplysia californica]]
 [[Category: Large Structures]]
-[[Category: Casida, J E]]
+[[Category: Casida JE]]
-[[Category: Harel, M]]
+[[Category: Harel M]]
-[[Category: Hibbs, R E]]
+[[Category: Hibbs RE]]
-[[Category: Talley, T T]]
+[[Category: Talley TT]]
-[[Category: Taylor, P W]]
+[[Category: Taylor PW]]
-[[Category: Tomizawa, M]]
+[[Category: Tomizawa M]]
-[[Category: Acetylcholine binding protein]]
-[[Category: Choline-binding protein]]
-[[Category: Neonicotinoid]]
-[[Category: Receptor]]

3c84

From Proteopedia

Current revision

Crystal structure of a complex of AChBP from aplysia californica and the neonicotinoid thiacloprid

Structural highlights

Function

Evolutionary Conservation

Publication Abstract from PubMed

See Also

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

Views

Personal tools

Navigation

Search

Toolbox