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5eoe

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Revision as of 17:15, 19 October 2016

Crystal structure of extended-spectrum beta-lactamase BEL-1 (orthorhombic form)

Structural highlights

5eoe is a 2 chain structure. This structure supersedes the now removed PDB entry 4mx4. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:	, , , , , ,
Activity:	Beta-lactamase, with EC number 3.5.2.6
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Publication Abstract from PubMed

BEL-1 is an acquired class A ESBL found in P. aeruginosa clinical isolates from Belgium, which is divergent from other ESBLs (max. identity, 54% with GES-type enzymes). This enzyme is efficiently inhibited by clavulanate, imipenem and moxalactam. Crystals of BEL-1 were obtained at pH 5.6 and the structure of native BEL-1 was determined from orthorhombic and monoclinic crystal forms, at 1.60-A and 1.48 A resolution, respectively. By soaking native BEL-1 crystals, complexes with imipenem (monoclinic form, 1.79 A res.) and moxalactam (orthorhombic form, 1.85 A res.) were also obtained. In the acyl-enzyme complexes, imipenem and moxalactam differ by the position of the alpha-substituent and of the carbonyl oxygen (in or out the oxyanion hole). More surprisingly, the Omega-loop, which includes the catalytically-relevant residue Glu166, was found in different conformations in the various subunits, resulting in the Glu166 side chain to be rotated outwards the active site or even in displacements of its Calpha atom up to approx. 10 A. A BEL-1 variant showing the single Leu162Phe substitution (BEL-2) confers a higher level of resistance to CAZ, CTX and FEP and shows significantly lower KM values as compared to those of BEL-1, especially with oxyiminocephalosporins. BEL-1 Leu162 is located at the beginning of the Omega-loop, and surrounded by Phe72, Leu139, Leu148 and Leu169 (contact distances, 3.8-4.0 A). This small hydrophobic cavity could not reasonably accommodate the bulkier Phe162 found in BEL-2 without altering neighboring residues or the Omega-loop itself, thus likely causing an important alteration of the enzyme kinetic properties.

Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and its Complex with Moxalactam and Imipenem.,Pozzi C, De Luca F, Benvenuti M, Poirel L, Nordmann P, Rossolini GM, Mangani S, Docquier JD Antimicrob Agents Chemother. 2016 Sep 26. pii: AAC.00936-16. PMID:27671060^[1]

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

References

↑ Pozzi C, De Luca F, Benvenuti M, Poirel L, Nordmann P, Rossolini GM, Mangani S, Docquier JD. Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and its Complex with Moxalactam and Imipenem. Antimicrob Agents Chemother. 2016 Sep 26. pii: AAC.00936-16. PMID:27671060 doi:http://dx.doi.org/10.1128/AAC.00936-16

1 Structural highlights
2 Publication Abstract from PubMed
3 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/5eoe"

@@ Line 3: / Line 3: @@
 <StructureSection load='5eoe' size='340' side='right' caption='[[5eoe]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[5eoe]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5EOE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5EOE FirstGlance]. <br>
+<table><tr><td colspan='2'>[[5eoe]] is a 2 chain structure. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=4mx4 4mx4]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5EOE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5EOE FirstGlance]. <br>
 </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1PE:PENTAETHYLENE+GLYCOL'>1PE</scene>, <scene name='pdbligand=CIT:CITRIC+ACID'>CIT</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=IPA:ISOPROPYL+ALCOHOL'>IPA</scene>, <scene name='pdbligand=MRD:(4R)-2-METHYLPENTANE-2,4-DIOL'>MRD</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene></td></tr>
 <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-lactamase Beta-lactamase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6] </span></td></tr>

5eoe

From Proteopedia

Revision as of 17:15, 19 October 2016

Crystal structure of extended-spectrum beta-lactamase BEL-1 (orthorhombic form)

Structural highlights

Publication Abstract from PubMed

References

Contents

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