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2y2m

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PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (E08)

Structural highlights

2y2m 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 1.62Å
Ligands:	, ,
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

Q7CRA4_STRR6

Publication Abstract from PubMed

beta-Lactam antibiotics have long been a treatment of choice for bacterial infections since they bind irreversibly to Penicillin-Binding Proteins (PBPs), enzymes that are vital for cell wall biosynthesis. Many pathogens express drug-insensitive PBPs rendering beta-lactams ineffective, revealing a need for new types of PBP inhibitors active against resistant strains. We have identified alkyl boronic acids that are active against pathogens including methicillin-resistant S. aureus (MRSA). The crystal structures of PBP1b complexed to eleven different alkyl boronates demonstrate that in vivo efficacy correlates with the mode of inhibitor side chain binding. Staphylococcal membrane analyses reveal that the most potent alkyl boronate targets PBP1, an autolysis system regulator, and PBP2a, a low beta-lactam affinity enzyme. This work demonstrates the potential of boronate-based PBP-inhibitors for circumventing beta-lactam resistance, and opens avenues for the development of novel antibiotics that target Gram-positive pathogens.

Structure-guided design of cell wall biosynthesis inhibitors that overcome beta-lactam resistance in Staphylococcus aureus (MRSA).,Contreras-Martel C, Amoroso A, Woon EC, Zervosen A, Inglis S, Martins A, Verlaine O, Rydzik A, Job V, Luxen A, Joris B, Schofield CJ, Dessen A ACS Chem Biol. 2011 Jul 6. PMID:21732689^[1]

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

References

↑ Contreras-Martel C, Amoroso A, Woon EC, Zervosen A, Inglis S, Martins A, Verlaine O, Rydzik A, Job V, Luxen A, Joris B, Schofield CJ, Dessen A. Structure-guided design of cell wall biosynthesis inhibitors that overcome beta-lactam resistance in Staphylococcus aureus (MRSA). ACS Chem Biol. 2011 Jul 6. PMID:21732689 doi:10.1021/cb2001846

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

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/2y2m"

@@ Line 3: / Line 3: @@
 <StructureSection load='2y2m' size='340' side='right'caption='[[2y2m]], [[Resolution|resolution]] 1.62&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[2y2m]] 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=2Y2M OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2Y2M FirstGlance]. <br>
+<table><tr><td colspan='2'>[[2y2m]] 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=2Y2M OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2Y2M FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=E08:TRIHYDROXY-[(1S)-1-[(2-PROPAN-2-YLPHENYL)CARBONYLAMINO]ETHYL]BORON'>E08</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</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]] 1.62&#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;'>[[2uwx|2uwx]], [[2xd1|2xd1]], [[2xd5|2xd5]], [[2y2i|2y2i]], [[2y2g|2y2g]], [[2y2h|2y2h]], [[2y2o|2y2o]], [[2y2n|2y2n]], [[2y2j|2y2j]], [[2y2k|2y2k]], [[2y2q|2y2q]], [[2y2p|2y2p]], [[2y2l|2y2l]]</div></td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=E08:TRIHYDROXY-[(1S)-1-[(2-PROPAN-2-YLPHENYL)CARBONYLAMINO]ETHYL]BORON'>E08</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</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=2y2m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2y2m OCA], [https://pdbe.org/2y2m PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2y2m RCSB], [https://www.ebi.ac.uk/pdbsum/2y2m PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2y2m ProSAT]</span></td></tr>
 </table>
+== Function ==
+[https://www.uniprot.org/uniprot/Q7CRA4_STRR6 Q7CRA4_STRR6]
 <div style="background-color:#fffaf0;">
 == Publication Abstract from PubMed ==
@@ Line 25: / Line 27: @@
 </StructureSection>
 [[Category: Large Structures]]
-[[Category: Strr6]]
+[[Category: Streptococcus pneumoniae R6]]
-[[Category: Amoroso, A]]
+[[Category: Amoroso A]]
-[[Category: Contreras-Martel, C]]
+[[Category: Contreras-Martel C]]
-[[Category: Dessen, A]]
+[[Category: Dessen A]]
-[[Category: Inglis, S]]
+[[Category: Inglis S]]
-[[Category: Job, V]]
+[[Category: Job V]]
-[[Category: Joris, B]]
+[[Category: Joris B]]
-[[Category: Luxen, A]]
+[[Category: Luxen A]]
-[[Category: Martins, A]]
+[[Category: Martins A]]
-[[Category: Rydzik, A]]
+[[Category: Rydzik A]]
-[[Category: Schofield, C J]]
+[[Category: Schofield CJ]]
-[[Category: Verlaine, O]]
+[[Category: Verlaine O]]
-[[Category: Woon, E C]]
+[[Category: Woon EC]]
-[[Category: Zervosen, A]]
+[[Category: Zervosen A]]
-[[Category: Cell wall]]
-[[Category: Infection]]
-[[Category: Inhibitor]]
-[[Category: Peptidoglycan]]
-[[Category: Transferase]]

2y2m

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Current revision

PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (E08)

Structural highlights

Function

Publication Abstract from PubMed

See Also

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

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