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[[Image:1k1d.gif|left|200px]]<br /><applet load="1k1d" size="350" color="white" frame="true" align="right" spinBox="true"
caption="1k1d, resolution 3.01&Aring;" />
'''Crystal structure of D-hydantoinase'''<br />


==Overview==
==Crystal structure of D-hydantoinase==
Industrial production of antibiotics, such as semisynthetic penicillins and cephalosporins, requires optically pure D-p-hydroxylphenylglycine and its derivatives as important side-chain precursors. To produce optically pure D-amino acids, microbial D-hydantoinase (E.C. 3.5.2.2) is used for stereospecific hydrolysis of chemically synthesized cyclic hydantoins. We report the apo-crystal structure of D-hydantoinase from B. stearothermophilus SD1 at 3.0 A resolution. The structure has a classic TIM barrel fold. Despite an undetectable similarity in sequence, D-hydantoinase shares a striking structural similarity with the recently solved structure of dihydroorotase. A structural comparison of hydantoinase with dihydroorotase revealed that the catalytic chemistry is conserved, while the substrate recognition is not. This structure provides insight into the stereochemistry of enantioselectivity in hydrolysis and illustrates how the enzyme recognizes stereospecific exocyclic substituents and hydrolyzes hydantoins. It should also provide a rationale for further directed evolution of this enzyme for hydrolysis of new hydantoins with novel exocyclic substituents.
<StructureSection load='1k1d' size='340' side='right'caption='[[1k1d]], [[Resolution|resolution]] 3.01&Aring;' scene=''>
 
== Structural highlights ==
==About this Structure==
<table><tr><td colspan='2'>[[1k1d]] is a 8 chain structure with sequence from [https://en.wikipedia.org/wiki/Geobacillus_stearothermophilus Geobacillus stearothermophilus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1K1D OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1K1D FirstGlance]. <br>
1K1D is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Geobacillus_stearothermophilus Geobacillus stearothermophilus] with <scene name='pdbligand=ZN:'>ZN</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1K1D OCA].  
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 3.01&#8491;</td></tr>
 
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=KCX:LYSINE+NZ-CARBOXYLIC+ACID'>KCX</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
==Reference==
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1k1d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1k1d OCA], [https://pdbe.org/1k1d PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1k1d RCSB], [https://www.ebi.ac.uk/pdbsum/1k1d PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1k1d ProSAT]</span></td></tr>
Crystal structure of D-hydantoinase from Bacillus stearothermophilus: insight into the stereochemistry of enantioselectivity., Cheon YH, Kim HS, Han KH, Abendroth J, Niefind K, Schomburg D, Wang J, Kim Y, Biochemistry. 2002 Jul 30;41(30):9410-7. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12135362 12135362]
</table>
== Function ==
[https://www.uniprot.org/uniprot/HYDA_GEOSE HYDA_GEOSE] Catalyzes the stereospecific hydrolysis of the cyclic amide bond of D-hydantoin. Has no activity on dihydropyrimidines.
== 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/k1/1k1d_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=1k1d ConSurf].
<div style="clear:both"></div>
__TOC__
</StructureSection>
[[Category: Geobacillus stearothermophilus]]
[[Category: Geobacillus stearothermophilus]]
[[Category: Single protein]]
[[Category: Large Structures]]
[[Category: Abendroth, J.]]
[[Category: Abendroth J]]
[[Category: Cheon, Y H.]]
[[Category: Cheon YH]]
[[Category: Han, K H.]]
[[Category: Han KH]]
[[Category: Kim, H S.]]
[[Category: Kim HS]]
[[Category: Kim, Y.]]
[[Category: Kim Y]]
[[Category: Niefind, K.]]
[[Category: Niefind K]]
[[Category: Schomburg, D.]]
[[Category: Schomburg D]]
[[Category: Wang, J.]]
[[Category: Wang J]]
[[Category: ZN]]
[[Category: d-hydantoinase]]
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:28:59 2008''

Latest revision as of 10:56, 3 April 2024

Crystal structure of D-hydantoinaseCrystal structure of D-hydantoinase

Structural highlights

1k1d is a 8 chain structure with sequence from Geobacillus stearothermophilus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 3.01Å
Ligands:,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

HYDA_GEOSE Catalyzes the stereospecific hydrolysis of the cyclic amide bond of D-hydantoin. Has no activity on dihydropyrimidines.

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

1k1d, resolution 3.01Å

Drag the structure with the mouse to rotate

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