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2x8p

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Crystal Structure of CbpF in Complex with Atropine by Co- Crystallization

Structural highlights

2x8p is a 1 chain structure with sequence from Streptococcus pneumoniae R6. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:	X-ray diffraction, Resolution 2.27Å
Ligands:	, , ,
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

Q8DR52_STRR6

Publication Abstract from PubMed

Streptococcus pneumoniae is a major pathogen responsible of important diseases worldwide such as pneumonia and meningitis. An increasing resistance level hampers the use of currently available antibiotics to treat pneumococcal diseases. Consequently, it is desirable to find new targets for the development of novel antimicrobial drugs to treat pneumococcal infections. Surface choline-binding proteins (CBPs) are essential in bacterial physiology and infectivity. In this sense, esters of bicyclic amines (EBAs) such as atropine and ipratropium have been previously described to act as choline analogs and effectively compete with teichoic acids on binding to CBPs, consequently preventing in vitro pneumococcal growth, altering cell morphology and reducing cell viability. With the aim of gaining a deeper insight into the structural determinants of the strong interaction between CBPs and EBAs, the three-dimensional structures of choline-binding protein F (CbpF), one of the most abundant proteins in the pneumococcal cell wall, complexed with atropine and ipratropium, have been obtained. The choline analogs bound both to the carboxy-terminal module, involved in cell wall binding, and, unexpectedly, also to the amino-terminal module, that possesses a regulatory role in pneumococcal autolysis. Analysis of the complexes confirmed the importance of the tropic acid moiety of the EBAs on the strength of the binding, through pi-pi interactions with aromatic residues in the binding site. These results represent the first example describing the molecular basis of the inhibition of CBPs by EBA molecules and pave the way for the development of new generations of antipneumococcal drugs.

Crystal structures of CbpF complexed with atropine and ipratropium reveal clues for the design of novel antimicrobials against Streptococcus pneumoniae.,Silva-Martin N, Retamosa MG, Maestro B, Bartual SG, Rodes MJ, Garcia P, Sanz JM, Hermoso JA Biochim Biophys Acta. 2013 Sep 11. pii: S0304-4165(13)00381-4. doi:, 10.1016/j.bbagen.2013.09.006. PMID:24036328^[1]

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

References

↑ Silva-Martin N, Retamosa MG, Maestro B, Bartual SG, Rodes MJ, Garcia P, Sanz JM, Hermoso JA. Crystal structures of CbpF complexed with atropine and ipratropium reveal clues for the design of novel antimicrobials against Streptococcus pneumoniae. Biochim Biophys Acta. 2013 Sep 11. pii: S0304-4165(13)00381-4. doi:, 10.1016/j.bbagen.2013.09.006. PMID:24036328 doi:10.1016/j.bbagen.2013.09.006

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

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/2x8p"

Categories: Large Structures | Streptococcus pneumoniae R6 | Hermoso JA | Silva-Martin N

@@ Line 3: / Line 3: @@
 <StructureSection load='2x8p' size='340' side='right'caption='[[2x8p]], [[Resolution|resolution]] 2.27&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[2x8p]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Strr6 Strr6]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2X8P OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2X8P FirstGlance]. <br>
+<table><tr><td colspan='2'>[[2x8p]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptococcus_pneumoniae_R6 Streptococcus pneumoniae R6]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2X8P OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2X8P FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CHT:CHOLINE+ION'>CHT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=OIN:(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL+(2R)-3-HYDROXY-2-PHENYLPROPANOATE'>OIN</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]] 2.27&#8491;</td></tr>
-<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2v04|2v04]], [[2vyu|2vyu]], [[2v05|2v05]], [[2x8o|2x8o]], [[2x8m|2x8m]]</div></td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CHT:CHOLINE+ION'>CHT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=OIN:(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL+(2R)-3-HYDROXY-2-PHENYLPROPANOATE'>OIN</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'>[https://proteopedia.org/fgij/fg.htm?mol=2x8p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2x8p OCA], [https://pdbe.org/2x8p PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2x8p RCSB], [https://www.ebi.ac.uk/pdbsum/2x8p PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2x8p ProSAT]</span></td></tr>
 </table>
+== Function ==
+[https://www.uniprot.org/uniprot/Q8DR52_STRR6 Q8DR52_STRR6]
 <div style="background-color:#fffaf0;">
 == Publication Abstract from PubMed ==
@@ Line 22: / Line 24: @@
 </StructureSection>
 [[Category: Large Structures]]
-[[Category: Strr6]]
+[[Category: Streptococcus pneumoniae R6]]
-[[Category: Hermoso, J A]]
+[[Category: Hermoso JA]]
-[[Category: Silva-Martin, N]]
+[[Category: Silva-Martin N]]
-[[Category: Choline-binding protein]]
-[[Category: Lipid-binding-protein]]

2x8p

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Current revision

Crystal Structure of CbpF in Complex with Atropine by Co- Crystallization

Structural highlights

Function

Publication Abstract from PubMed

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

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