1vm1: Difference between revisions

From Proteopedia
Jump to navigationJump to search
OCA (talk | contribs)
New page: left|200px<br /><applet load="1vm1" size="450" color="white" frame="true" align="right" spinBox="true" caption="1vm1, resolution 2.02Å" /> '''STRUCTURE OF SHV-1 B...
 
OCA (talk | contribs)
No edit summary
 
(17 intermediate revisions by the same user not shown)
Line 1: Line 1:
[[Image:1vm1.gif|left|200px]]<br /><applet load="1vm1" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1vm1, resolution 2.02&Aring;" />
'''STRUCTURE OF SHV-1 BETA-LACTAMASE INHIBITED BY TAZOBACTAM'''<br />


==Overview==
==STRUCTURE OF SHV-1 BETA-LACTAMASE INHIBITED BY TAZOBACTAM==
Two species resulting from the reaction of the SHV-1 class A, beta-lactamase with the sulfone inhibitor tazobactam have been trapped at, 100 K and mapped by X-ray crystallography at 2.0 A resolution. An acyclic, form of tazobactam is covalently bonded to the catalytic Ser70 side chain, and a second species, a five-atom vinyl carboxylic acid fragment of, tazobactam, is bonded to Ser130. It is proposed that the electron density, map of the crystal is a composite picture of two complexes, each with only, a single bound species. It is estimated that the two complexes exist in, the crystal in approximately equal populations. Results are discussed in, relation to the mechanism-based inhibition of class A beta-lactamases by, the similar inhibitors sulbactam and clavulanic acid.
<StructureSection load='1vm1' size='340' side='right'caption='[[1vm1]], [[Resolution|resolution]] 2.02&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1vm1]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Klebsiella_pneumoniae Klebsiella pneumoniae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1VM1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1VM1 FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.02&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AKR:ACRYLIC+ACID'>AKR</scene>, <scene name='pdbligand=MA4:CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE'>MA4</scene>, <scene name='pdbligand=TAZ:TAZOBACTAM'>TAZ</scene>, <scene name='pdbligand=TBE:TAZOBACTAM+INTERMEDIATE'>TBE</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=1vm1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1vm1 OCA], [https://pdbe.org/1vm1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1vm1 RCSB], [https://www.ebi.ac.uk/pdbsum/1vm1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1vm1 ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/BLA1_KLEPN BLA1_KLEPN]
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/vm/1vm1_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1vm1 ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Two species resulting from the reaction of the SHV-1 class A beta-lactamase with the sulfone inhibitor tazobactam have been trapped at 100 K and mapped by X-ray crystallography at 2.0 A resolution. An acyclic form of tazobactam is covalently bonded to the catalytic Ser70 side chain, and a second species, a five-atom vinyl carboxylic acid fragment of tazobactam, is bonded to Ser130. It is proposed that the electron density map of the crystal is a composite picture of two complexes, each with only a single bound species. It is estimated that the two complexes exist in the crystal in approximately equal populations. Results are discussed in relation to the mechanism-based inhibition of class A beta-lactamases by the similar inhibitors sulbactam and clavulanic acid.


==About this Structure==
Inhibition of the SHV-1 beta-lactamase by sulfones: crystallographic observation of two reaction intermediates with tazobactam.,Kuzin AP, Nukaga M, Nukaga Y, Hujer A, Bonomo RA, Knox JR Biochemistry. 2001 Feb 13;40(6):1861-6. PMID:11327849<ref>PMID:11327849</ref>
1VM1 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Klebsiella_pneumoniae Klebsiella pneumoniae] with MA4, TBE, AKR and TAZ as [http://en.wikipedia.org/wiki/ligands ligands]. This structure superseeds the now removed PDB entry 1G56. Active as [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] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1VM1 OCA].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
Inhibition of the SHV-1 beta-lactamase by sulfones: crystallographic observation of two reaction intermediates with tazobactam., Kuzin AP, Nukaga M, Nukaga Y, Hujer A, Bonomo RA, Knox JR, Biochemistry. 2001 Feb 13;40(6):1861-6. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11327849 11327849]
</div>
[[Category: Beta-lactamase]]
<div class="pdbe-citations 1vm1" style="background-color:#fffaf0;"></div>
 
==See Also==
*[[Beta-lactamase 3D structures|Beta-lactamase 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Klebsiella pneumoniae]]
[[Category: Klebsiella pneumoniae]]
[[Category: Single protein]]
[[Category: Large Structures]]
[[Category: Bonomo, R.A.]]
[[Category: Bonomo RA]]
[[Category: Hujer, A.]]
[[Category: Hujer A]]
[[Category: Knox, J.R.]]
[[Category: Knox JR]]
[[Category: Kuzin, A.P.]]
[[Category: Kuzin AP]]
[[Category: Nukaga, M.]]
[[Category: Nukaga M]]
[[Category: Nukaga, Y.]]
[[Category: Nukaga Y]]
[[Category: AKR]]
[[Category: MA4]]
[[Category: TAZ]]
[[Category: TBE]]
[[Category: beta-lactam hydrolase]]
[[Category: beta-lactamase]]
[[Category: detergent binding]]
[[Category: inhibitor design]]
[[Category: penicillinase]]
 
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Sat Nov 24 22:49:06 2007''