1n40

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(New page: 200px<br /><applet load="1n40" size="450" color="white" frame="true" align="right" spinBox="true" caption="1n40, resolution 1.06&Aring;" /> '''Atomic structure of ...)
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[[Image:1n40.gif|left|200px]]<br /><applet load="1n40" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1n40, resolution 1.06&Aring;" />
 
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'''Atomic structure of CYP121, a mycobacterial P450'''<br />
 
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==Overview==
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==Atomic structure of CYP121, a mycobacterial P450==
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The first structure of a P450 to an atomic resolution of 1.06 A has been, solved for CYP121 from Mycobacterium tuberculosis. A comparison with P450, EryF (CYP107A1) reveals a remarkable overall similarity in fold with major, differences residing in active site structural elements. The high, resolution obtained allows visualization of several unusual aspects. The, heme cofactor is bound in two distinct conformations while being notably, kinked in one pyrrole group due to close interaction with the proline, residue (Pro(346)) immediately following the heme iron-ligating cysteine, (Cys(345)). The active site is remarkably rigid in comparison with the, remainder of the structure, notwithstanding the large cavity volume of, 1350 A(3). The region immediately surrounding the distal water ligand is, remarkable in several aspects. Unlike other bacterial P450s, the I helix, shows no deformation, similar to mammalian CYP2C5. In addition, the, positively charged Arg(386) is located immediately above the heme plane, dominating the local structure. Putative proton relay pathways from, protein surface to heme (converging at Ser(279)) are identified. Most, interestingly, the electron density indicates weak binding of a dioxygen, molecule to the P450. This structure provides a basis for rational design, of putative antimycobacterial agents.
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<StructureSection load='1n40' size='340' side='right'caption='[[1n40]], [[Resolution|resolution]] 1.06&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1n40]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1N40 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1N40 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]] 1.06&#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=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=OXY:OXYGEN+MOLECULE'>OXY</scene>, <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=1n40 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1n40 OCA], [https://pdbe.org/1n40 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1n40 RCSB], [https://www.ebi.ac.uk/pdbsum/1n40 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1n40 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/CP121_MYCTU CP121_MYCTU]
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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/n4/1n40_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=1n40 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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1N40 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis] with SO4, HEM and OXY as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1N40 OCA].
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*[[Cytochrome P450 3D structures|Cytochrome P450 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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Atomic structure of Mycobacterium tuberculosis CYP121 to 1.06 A reveals novel features of cytochrome P450., Leys D, Mowat CG, McLean KJ, Richmond A, Chapman SK, Walkinshaw MD, Munro AW, J Biol Chem. 2003 Feb 14;278(7):5141-7. Epub 2002 Nov 14. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12435731 12435731]
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[[Category: Large Structures]]
[[Category: Mycobacterium tuberculosis]]
[[Category: Mycobacterium tuberculosis]]
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[[Category: Single protein]]
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[[Category: Chapman SK]]
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[[Category: Chapman, S.K.]]
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[[Category: Leys D]]
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[[Category: Leys, D.]]
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[[Category: McLean KJ]]
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[[Category: McLean, K.J.]]
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[[Category: Mowat CG]]
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[[Category: Mowat, C.G.]]
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[[Category: Munro AW]]
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[[Category: Munro, A.W.]]
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[[Category: Richmond A]]
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[[Category: Richmond, A.]]
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[[Category: Walkinshaw MD]]
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[[Category: TBSGC, TB.Structural.Genomics.Consortium.]]
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[[Category: Walkinshaw, M.D.]]
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[[Category: HEM]]
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[[Category: OXY]]
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[[Category: SO4]]
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[[Category: heme binding]]
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[[Category: oxygen binding]]
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[[Category: p450 fold]]
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[[Category: protein structure initiative]]
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[[Category: psi]]
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[[Category: structural genomics]]
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[[Category: tb structural genomics consortium]]
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[[Category: tbsgc]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 21:56:34 2007''
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Current revision

Atomic structure of CYP121, a mycobacterial P450

PDB ID 1n40

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