2ai7: Difference between revisions

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-[[Image:2ai7.gif|left|200px]]
-<!--
+==S.pneumoniae Polypeptide Deformylase complexed with SB-485345==
-The line below this paragraph, containing "STRUCTURE_2ai7", creates the "Structure Box" on the page.
+<StructureSection load='2ai7' size='340' side='right'caption='[[2ai7]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
-You may change the PDB parameter (which sets the PDB file loaded into the applet)
+== Structural highlights ==
-or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
+<table><tr><td colspan='2'>[[2ai7]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptococcus_pneumoniae Streptococcus pneumoniae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2AI7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2AI7 FirstGlance]. <br>
-or leave the SCENE parameter empty for the default display.
+</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>
--->
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=SB7:[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL'>SB7</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-{{STRUCTURE_2ai7|  PDB=2ai7  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2ai7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ai7 OCA], [https://pdbe.org/2ai7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2ai7 RCSB], [https://www.ebi.ac.uk/pdbsum/2ai7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2ai7 ProSAT]</span></td></tr>
+</table>
-'''S.pneumoniae Polypeptide Deformylase complexed with SB-485345'''
+== Function ==
+[https://www.uniprot.org/uniprot/DEF_STRR6 DEF_STRR6] Removes the formyl group from the N-terminal Met of newly synthesized proteins. Requires at least a dipeptide for an efficient rate of reaction. N-terminal L-methionine is a prerequisite for activity but the enzyme has broad specificity at other positions (By similarity).
+== Evolutionary Conservation ==
-==Overview==
+[[Image:Consurf_key_small.gif|200px|right]]
-Polypeptide deformylase (PDF) catalyzes the deformylation of polypeptide chains in bacteria. It is essential for bacterial cell viability and is a potential antibacterial drug target. Here, we report the crystal structures of polypeptide deformylase from four different species of bacteria: Streptococcus pneumoniae, Staphylococcus aureus, Haemophilus influenzae, and Escherichia coli. Comparison of these four structures reveals significant overall differences between the two Gram-negative species (E. coli and H. influenzae) and the two Gram-positive species (S. pneumoniae and S. aureus). Despite these differences and low overall sequence identity, the S1' pocket of PDF is well conserved among the four enzymes studied. We also describe the binding of nonpeptidic inhibitor molecules SB-485345, SB-543668, and SB-505684 to both S. pneumoniae and E. coli PDF. Comparison of these structures shows similar binding interactions with both Gram-negative and Gram-positive species. Understanding the similarities and subtle differences in active site structure between species will help to design broad-spectrum polypeptide deformylase inhibitor molecules.
+Check<jmol>
+  <jmolCheckbox>
-==About this Structure==
+    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ai/2ai7_consurf.spt"</scriptWhenChecked>
-AI7 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Streptococcus_pneumoniae Streptococcus pneumoniae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2AI7 OCA].
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
+    <text>to colour the structure by Evolutionary Conservation</text>
-==Reference==
+  </jmolCheckbox>
-Structural variation and inhibitor binding in polypeptide deformylase from four different bacterial species., Smith KJ, Petit CM, Aubart K, Smyth M, McManus E, Jones J, Fosberry A, Lewis C, Lonetto M, Christensen SB, Protein Sci. 2003 Feb;12(2):349-60. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12538898 12538898]
+</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=2ai7 ConSurf].
-[[Category: Peptide deformylase]]
+<div style="clear:both"></div>
-[[Category: Single protein]]
+__TOC__
+</StructureSection>
+[[Category: Large Structures]]
 [[Category: Streptococcus pneumoniae]]
-[[Category: Aubart, K.]]
+[[Category: Aubart K]]
-[[Category: Christensen, S B.]]
+[[Category: Christensen SB]]
-[[Category: Fosberry, A.]]
+[[Category: Fosberry A]]
-[[Category: Jones, J.]]
+[[Category: Jones J]]
-[[Category: Lewis, C.]]
+[[Category: Lewis C]]
-[[Category: Lonetto, M.]]
+[[Category: Lonetto M]]
-[[Category: McManus, E.]]
+[[Category: McManus E]]
-[[Category: Petit, C M.]]
+[[Category: Petit CM]]
-[[Category: Smith, K J.]]
+[[Category: Smith KJ]]
-[[Category: Smyth, M.]]
+[[Category: Smyth M]]
-[[Category: Hydrolase]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 19:04:55 2008''