4xxr: Difference between revisions

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<StructureSection load='4xxr' size='340' side='right'caption='[[4xxr]], [[Resolution|resolution]] 1.18&Aring;' scene=''>
<StructureSection load='4xxr' size='340' side='right'caption='[[4xxr]], [[Resolution|resolution]] 1.18&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[4xxr]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_coli"_migula_1895 "bacillus coli" migula 1895]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4XXR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4XXR FirstGlance]. <br>
<table><tr><td colspan='2'>[[4xxr]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4XXR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4XXR FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=JSC:[(1,2,3,4,5-ETA)-1-(4-{[CARBOXY(4-CARBOXY-5,5-DIMETHYL-1,3-THIAZOLIDIN-2-YL)METHYL]AMINO}-4-OXOBUTANOYL)CYCLOPENTADIENYL][(1,2,3,4,5-ETA)-CYCLOPENTADIENYL]RUTHENIUM'>JSC</scene>, <scene name='pdbligand=JSD:[(1,2,3,4,5-ETA)-1-(4-{[(4-CARBOXY-5,5-DIMETHYL-1,3-THIAZOLIDIN-2-YL)METHYL]AMINO}-4-OXOBUTANOYL)CYCLOPENTADIENYL][(1,2,3,4,5-ETA)-CYCLOPENTADIENYL]RUTHENIUM'>JSD</scene>, <scene name='pdbligand=JSE:[(1,2,3,4,5-ETA)-1-(4-{[CARBOXY(4-CARBOXY-5,5-DIMETHYL-1,3-THIAZOLIDIN-2-YL)METHYL]AMINO}-4-OXOBUTANOYL)CYCLOPENTADIENYL][(1,2,3,4,5-ETA)-CYCLOPENTADIENYL]RUTHENIUM'>JSE</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene></td></tr>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=JSC:[(1,2,3,4,5-ETA)-1-(4-{[CARBOXY(4-CARBOXY-5,5-DIMETHYL-1,3-THIAZOLIDIN-2-YL)METHYL]AMINO}-4-OXOBUTANOYL)CYCLOPENTADIENYL][(1,2,3,4,5-ETA)-CYCLOPENTADIENYL]RUTHENIUM'>JSC</scene>, <scene name='pdbligand=JSD:[(1,2,3,4,5-ETA)-1-(4-{[(4-CARBOXY-5,5-DIMETHYL-1,3-THIAZOLIDIN-2-YL)METHYL]AMINO}-4-OXOBUTANOYL)CYCLOPENTADIENYL][(1,2,3,4,5-ETA)-CYCLOPENTADIENYL]RUTHENIUM'>JSD</scene>, <scene name='pdbligand=JSE:[(1,2,3,4,5-ETA)-1-(4-{[CARBOXY(4-CARBOXY-5,5-DIMETHYL-1,3-THIAZOLIDIN-2-YL)METHYL]AMINO}-4-OXOBUTANOYL)CYCLOPENTADIENYL][(1,2,3,4,5-ETA)-CYCLOPENTADIENYL]RUTHENIUM'>JSE</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene></td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">blaCTX-M-14, beta-lactamase CTX-M-14, bla-CTX-M-14a, blaCTX-M-14a, blaCTX-M-14b, blaCTX-M-14c, blaCTX-M-27b, blatoho-3, blaUOE-2, CTX-M-14, ETN48_p0088, pCT_085, pHK01_011 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 "Bacillus coli" Migula 1895])</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=4xxr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xxr OCA], [https://pdbe.org/4xxr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4xxr RCSB], [https://www.ebi.ac.uk/pdbsum/4xxr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4xxr ProSAT]</span></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>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4xxr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xxr OCA], [http://pdbe.org/4xxr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4xxr RCSB], [http://www.ebi.ac.uk/pdbsum/4xxr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4xxr ProSAT]</span></td></tr>
</table>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q9L5C7_ECOLX Q9L5C7_ECOLX]
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Bacillus coli migula 1895]]
[[Category: Escherichia coli]]
[[Category: Beta-lactamase]]
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Chen, Y]]
[[Category: Chen Y]]
[[Category: Lewandowski, E M]]
[[Category: Lewandowski EM]]
[[Category: Beta-lactamase organometallic ruthenocene ctx-m-14]]
[[Category: Hydrolase-antibiotic complex]]

Revision as of 20:57, 26 April 2023

Atomic Resolution X-Ray Crystal Structure of a Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with CTX-M-14 E166A Beta-LactamaseAtomic Resolution X-Ray Crystal Structure of a Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with CTX-M-14 E166A Beta-Lactamase

Structural highlights

4xxr is a 2 chain structure with sequence from Escherichia coli. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:, , ,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

Q9L5C7_ECOLX

Publication Abstract from PubMed

We have determined a 1.18 A resolution X-ray crystal structure of a novel ruthenocenyle-6-aminopenicillinic acid in complex with CTX-M beta-lactamase, showing unprecedented details of interactions between ruthenocene and protein. As the first product complex with an intact catalytic serine, the structure also offers insights into beta-lactamase catalysis and inhibitor design.

Antibacterial properties and atomic resolution X-ray complex crystal structure of a ruthenocene conjugated beta-lactam antibiotic.,Lewandowski EM, Skiba J, Torelli NJ, Rajnisz A, Solecka J, Kowalski K, Chen Y Chem Commun (Camb). 2015 Mar 10. PMID:25753149[1]

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

See Also

References

  1. ↑ Lewandowski EM, Skiba J, Torelli NJ, Rajnisz A, Solecka J, Kowalski K, Chen Y. Antibacterial properties and atomic resolution X-ray complex crystal structure of a ruthenocene conjugated beta-lactam antibiotic. Chem Commun (Camb). 2015 Mar 10. PMID:25753149 doi:http://dx.doi.org/10.1039/c5cc00904a

4xxr, resolution 1.18Å

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