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4blm

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(New page: 200px<br /> <applet load="4blm" size="450" color="white" frame="true" align="right" spinBox="true" caption="4blm, resolution 2.0&Aring;" /> '''BETA-LACTAMASE OF BA...)
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[[Image:4blm.gif|left|200px]]<br />
 
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<applet load="4blm" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="4blm, resolution 2.0&Aring;" />
 
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'''BETA-LACTAMASE OF BACILLUS LICHENIFORMIS 749(SLASH)C. REFINEMENT AT 2 ANGSTROMS RESOLUTION AND ANALYSIS OF HYDRATION'''<br />
 
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==Overview==
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==BETA-LACTAMASE OF BACILLUS LICHENIFORMIS 749(SLASH)C. REFINEMENT AT 2 ANGSTROMS RESOLUTION AND ANALYSIS OF HYDRATION==
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The crystallographic and molecular structure of the class A beta-lactamase, (penicillinase) of Bacillus licheniformis 749/C has been refined with, X-ray diffraction data to 2 A resolution. For the 27,330 data with F, greater than or equal to 3 sigma(F), the R factor is 0.15; for all 30,090, data, R is 0.16. The estimated co-ordinate error is 0.15 A. In the final, model, the deviation of covalent bonds and angles from ideality is 0.012 A, and 2.2 degrees, respectively. The model includes two molecules of 29,500, daltons each in the asymmetric unit of space group P2(1), 484 water, molecules and two tetrahedral buffer anions. Overlay of the two protein, molecules results in a root-mean-square difference of 0.17 A and 0.41 A, for alpha-carbon atoms and for all atoms, respectively. Twenty-six water, molecules fall within 0.25 A of matching water molecules associated with, the second protein molecule. The reactive Ser70 is on a turn of 3(10), helix at the N terminus of a longer alpha-helix (72-83). The, penicillin-binding site near this helix contains at least seven water, molecules. Upon penicillin entry, a water molecule in the oxyanion hole, hydrogen-bonded between the N terminus of helix (80-83) and beta-strand, (230-238), would be displaced by the oxygen atom of the beta-lactam, carbonyl group. An unexpelled molecule of water is proposed to be the, catalytic water required for penicillin hydrolysis. The water is, hydrogen-bonded to Glu166, a conserved residue in all beta-lactamases, and, it lies 3 A from the alpha-face of a previously modeled penicillin. The, position of the water-Glu166 pair is stabilized in the active site by a, cis peptide bond at Pro167.
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<StructureSection load='4blm' size='340' side='right'caption='[[4blm]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4blm]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_licheniformis Bacillus licheniformis]. The May 2002 RCSB PDB [https://pdb.rcsb.org/pdb/static.do?p=education_discussion/molecule_of_the_month/index.html Molecule of the Month] feature on ''Penicillin-binding Proteins'' by David S. Goodsell is [https://dx.doi.org/10.2210/rcsb_pdb/mom_2002_5 10.2210/rcsb_pdb/mom_2002_5]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BLM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BLM FirstGlance]. <br>
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</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&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4blm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4blm OCA], [https://pdbe.org/4blm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4blm RCSB], [https://www.ebi.ac.uk/pdbsum/4blm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4blm ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/BLAC_BACLI BLAC_BACLI]
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/bl/4blm_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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=4blm ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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4BLM is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bacillus_licheniformis Bacillus licheniformis] with SO4 as [http://en.wikipedia.org/wiki/ligand ligand]. The following page contains interesting information on the relation of 4BLM with [[http://pdb.rcsb.org/pdb/static.do?p=education_discussion/molecule_of_the_month/pdb29_1.html Penicillin-binding Proteins]]. 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=4BLM OCA].
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*[[Beta-lactamase 3D structures|Beta-lactamase 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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Beta-lactamase of Bacillus licheniformis 749/C. Refinement at 2 A resolution and analysis of hydration., Knox JR, Moews PC, J Mol Biol. 1991 Jul 20;220(2):435-55. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=1856867 1856867]
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[[Category: Bacillus licheniformis]]
[[Category: Bacillus licheniformis]]
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[[Category: Beta-lactamase]]
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[[Category: Large Structures]]
[[Category: Penicillin-binding Proteins]]
[[Category: Penicillin-binding Proteins]]
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[[Category: Single protein]]
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[[Category: RCSB PDB Molecule of the Month]]
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[[Category: Knox, J.R.]]
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[[Category: Knox JR]]
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[[Category: Moews, P.C.]]
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[[Category: Moews PC]]
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[[Category: SO4]]
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[[Category: hydrolase(acting in cyclic amides)]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Sun Nov 18 09:10:50 2007''
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Current revision

BETA-LACTAMASE OF BACILLUS LICHENIFORMIS 749(SLASH)C. REFINEMENT AT 2 ANGSTROMS RESOLUTION AND ANALYSIS OF HYDRATION

PDB ID 4blm

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