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[[Image:1l3r.gif|left|200px]]
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{{STRUCTURE_1l3r|  PDB=1l3r  |  SCENE=  }}
'''Crystal Structure of a Transition State Mimic of the Catalytic Subunit of cAMP-dependent Protein Kinase'''


==Crystal Structure of a Transition State Mimic of the Catalytic Subunit of cAMP-dependent Protein Kinase==
<StructureSection load='1l3r' size='340' side='right'caption='[[1l3r]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1l3r]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1L3R OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1L3R 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&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ADP:ADENOSINE-5-DIPHOSPHATE'>ADP</scene>, <scene name='pdbligand=AF3:ALUMINUM+FLUORIDE'>AF3</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MPD:(4S)-2-METHYL-2,4-PENTANEDIOL'>MPD</scene>, <scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</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=1l3r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1l3r OCA], [https://pdbe.org/1l3r PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1l3r RCSB], [https://www.ebi.ac.uk/pdbsum/1l3r PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1l3r ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/IPKA_RAT IPKA_RAT] Extremely potent competitive inhibitor of cAMP-dependent protein kinase activity, this protein interacts with the catalytic subunit of the enzyme after the cAMP-induced dissociation of its regulatory chains.
== 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/l3/1l3r_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=1l3r ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
To understand the molecular mechanism underlying phosphoryl transfer of cAMP-dependent protein kinase, the structure of the catalytic subunit in complex with ADP, aluminum fluoride, Mg2+ ions and a substrate peptide was determined at 2.0 A resolution. Aluminum fluoride was modeled as AlF3 in a planar geometry; it is positioned 2.3 A from both the donor oxygen of ADP and the hydroxyl group of the recipient Ser residue. In this configuration, the aluminum atom forms a trigonal bipyramidal coordination with the oxygen atoms of the donor and recipient groups at the apical positions. This arrangement suggests that aluminum fluoride mimics the transition state and provides the first direct structural evidence for the in-line mechanism of phosphoryl transfer in a protein kinase.


==Overview==
Crystal structure of a transition state mimic of the catalytic subunit of cAMP-dependent protein kinase.,Madhusudan, Akamine P, Xuong NH, Taylor SS Nat Struct Biol. 2002 Apr;9(4):273-7. PMID:11896404<ref>PMID:11896404</ref>
To understand the molecular mechanism underlying phosphoryl transfer of cAMP-dependent protein kinase, the structure of the catalytic subunit in complex with ADP, aluminum fluoride, Mg2+ ions and a substrate peptide was determined at 2.0 A resolution. Aluminum fluoride was modeled as AlF3 in a planar geometry; it is positioned 2.3 A from both the donor oxygen of ADP and the hydroxyl group of the recipient Ser residue. In this configuration, the aluminum atom forms a trigonal bipyramidal coordination with the oxygen atoms of the donor and recipient groups at the apical positions. This arrangement suggests that aluminum fluoride mimics the transition state and provides the first direct structural evidence for the in-line mechanism of phosphoryl transfer in a protein kinase.


==About this Structure==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
1L3R is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1L3R OCA].
</div>
<div class="pdbe-citations 1l3r" style="background-color:#fffaf0;"></div>


==Reference==
==See Also==
Crystal structure of a transition state mimic of the catalytic subunit of cAMP-dependent protein kinase., Madhusudan, Akamine P, Xuong NH, Taylor SS, Nat Struct Biol. 2002 Apr;9(4):273-7. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/11896404 11896404]
*[[CAMP-dependent protein kinase 3D structures|CAMP-dependent protein kinase 3D structures]]
*[[MHC 3D structures|MHC 3D structures]]
*[[MHC II 3D structures|MHC II 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Mus musculus]]
[[Category: Mus musculus]]
[[Category: Non-specific serine/threonine protein kinase]]
[[Category: Akamine P]]
[[Category: Protein complex]]
[[Category: Akamine, P.]]
[[Category: Madhusudan]]
[[Category: Madhusudan]]
[[Category: Taylor, S S.]]
[[Category: Taylor SS]]
[[Category: Xuong, N H.]]
[[Category: Xuong N-H]]
[[Category: Protein kinase]]
[[Category: Protein-alf3 complex]]
[[Category: Transition state mimic]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May  2 23:30:41 2008''

Latest revision as of 04:41, 17 October 2024

Crystal Structure of a Transition State Mimic of the Catalytic Subunit of cAMP-dependent Protein Kinase

1l3r, resolution 2.00Å

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