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[[Image:1oh0.gif|left|200px]]<br />
<applet load="1oh0" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1oh0, resolution 1.1&Aring;" />
'''CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE COMPLEXED WITH EQUILENIN'''<br />


==Overview==
==CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE COMPLEXED WITH EQUILENIN==
Bacterial Delta5-3-ketosteroid isomerase (KSI) catalyzes a stereospecific, isomerization of steroid substrates at an extremely fast rate, overcoming, a large disparity of pKa values between a catalytic residue and its, target. The crystal structures of KSI from Pseudomonas putida and of the, enzyme in complex with equilenin, an analogue of the reaction, intermediate, have been determined at 1.9 and 2.5 A resolution, respectively. The structures reveal that the side chains of Tyr14 and, Asp99 (a newly identified catalytic residue) form hydrogen bonds directly, with the oxyanion of the bound inhibitor in a completely apolar milieu of, the active site. No water molecule is found at the active site, and the, access of bulk solvent is blocked by a layer of apolar residues. Asp99 is, surrounded ... [[http://ispc.weizmann.ac.il/pmbin/getpm?9369474 (full description)]]
<StructureSection load='1oh0' size='340' side='right'caption='[[1oh0]], [[Resolution|resolution]] 1.10&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1oh0]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_putida Pseudomonas putida]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=4tsu 4tsu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1OH0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1OH0 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]] 1.1&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BME:BETA-MERCAPTOETHANOL'>BME</scene>, <scene name='pdbligand=EQU:EQUILENIN'>EQU</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=1oh0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1oh0 OCA], [https://pdbe.org/1oh0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1oh0 RCSB], [https://www.ebi.ac.uk/pdbsum/1oh0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1oh0 ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/SDIS_PSEPU SDIS_PSEPU]
== 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/oh/1oh0_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.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=1oh0 ConSurf].
<div style="clear:both"></div>


==About this Structure==
==See Also==
1OH0 is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Pseudomonas_putida Pseudomonas putida]] with EQU and BME as [[http://en.wikipedia.org/wiki/ligands ligands]]. This structure superseeds the now removed PDB entry 4TSU. Active as [[http://en.wikipedia.org/wiki/Steroid_Delta-isomerase Steroid Delta-isomerase]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.3.3.1 5.3.3.1]]. Structure known Active Site: AC1. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1OH0 OCA]].
*[[Ketosteroid Isomerase|Ketosteroid Isomerase]]
 
__TOC__
==Reference==
</StructureSection>
High-resolution crystal structures of delta5-3-ketosteroid isomerase with and without a reaction intermediate analogue., Kim SW, Cha SS, Cho HS, Kim JS, Ha NC, Cho MJ, Joo S, Kim KK, Choi KY, Oh BH, Biochemistry. 1997 Nov 18;36(46):14030-6. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=9369474 9369474]
[[Category: Large Structures]]
[[Category: Pseudomonas putida]]
[[Category: Pseudomonas putida]]
[[Category: Single protein]]
[[Category: Byun M]]
[[Category: Steroid Delta-isomerase]]
[[Category: Cha S-S]]
[[Category: Byun, M.]]
[[Category: Kim K-H]]
[[Category: Cha, S.S.]]
[[Category: Oh B-H]]
[[Category: Kim, K.H.]]
[[Category: Oh, B.H.]]
[[Category: BME]]
[[Category: EQU]]
[[Category: equilenin]]
[[Category: isomerase]]
[[Category: ketosteroid isomerase]]
[[Category: ksi]]
[[Category: lbhb]]
[[Category: pi]]
 
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 14:08:01 2007''

Latest revision as of 05:47, 17 April 2024

CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE COMPLEXED WITH EQUILENIN

1oh0, resolution 1.10Å

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