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[[Image:2oa1.gif|left|200px]]


{{Structure
==Crystal Structure of RebH, a FAD-dependent halogenase from Lechevalieria aerocolonigenes, the L-Tryptophan with FAD complex==
|PDB= 2oa1 |SIZE=350|CAPTION= <scene name='initialview01'>2oa1</scene>, resolution 2.150&Aring;
<StructureSection load='2oa1' size='340' side='right'caption='[[2oa1]], [[Resolution|resolution]] 2.15&Aring;' scene=''>
|SITE= <scene name='pdbsite=AC1:Cl+Binding+Site+For+Residue+A+2001'>AC1</scene>, <scene name='pdbsite=AC2:TRP+Binding+Site+For+Residue+A+2002'>AC2</scene>, <scene name='pdbsite=AC3:TRP+Binding+Site+For+Residue+A+2003'>AC3</scene>, <scene name='pdbsite=AC4:Fad+Binding+Site+For+Residue+A+2004'>AC4</scene> and <scene name='pdbsite=AC5:Adn+Binding+Site+For+Residue+B+2005'>AC5</scene>
== Structural highlights ==
|LIGAND= <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=TRP:TRYPTOPHAN'>TRP</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene> and <scene name='pdbligand=ADN:ADENOSINE'>ADN</scene>
<table><tr><td colspan='2'>[[2oa1]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Lentzea_aerocolonigenes Lentzea aerocolonigenes]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OA1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2OA1 FirstGlance]. <br>
|ACTIVITY=  
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.15&#8491;</td></tr>
|GENE= rbmJ, rebH ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=68170 Lechevalieria aerocolonigenes])
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ADN:ADENOSINE'>ADN</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=TRP:TRYPTOPHAN'>TRP</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=2oa1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2oa1 OCA], [https://pdbe.org/2oa1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2oa1 RCSB], [https://www.ebi.ac.uk/pdbsum/2oa1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2oa1 ProSAT]</span></td></tr>
 
</table>
'''Crystal Structure of RebH, a FAD-dependent halogenase from Lechevalieria aerocolonigenes, the L-Tryptophan with FAD complex'''
== Function ==
 
[https://www.uniprot.org/uniprot/REBH_LENAE REBH_LENAE] Involved in the biosynthesis of the indolocarbazole antitumor agent rebeccamycin. Catalyzes the chlorination of tryptophan (Trp) at C7 position to yield 7-chlorotryptophan. The reaction between FADH2, Cl-, and O2 generates the powerful oxidant HOCl, which is presumed to carry out the chlorination reaction. The reaction of HOCl with the active site Lys-79 generates a lysine chloramine, which plays a key role in directing regiospecific chlorination of substrate in this important class of biosynthetic enzymes. It is also able to use bromide ions to generate monobrominated Trp.<ref>PMID:11983340</ref> <ref>PMID:15743914</ref> <ref>PMID:17260957</ref>
 
== Evolutionary Conservation ==
==About this Structure==
[[Image:Consurf_key_small.gif|200px|right]]
2OA1 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Lechevalieria_aerocolonigenes Lechevalieria aerocolonigenes]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OA1 OCA].
Check<jmol>
 
  <jmolCheckbox>
==Reference==
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/oa/2oa1_consurf.spt"</scriptWhenChecked>
The structure of flavin-dependent tryptophan 7-halogenase RebH., Bitto E, Huang Y, Bingman CA, Singh S, Thorson JS, Phillips GN Jr, Proteins. 2008 Jan 1;70(1):289-93. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17876823 17876823]
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
[[Category: Lechevalieria aerocolonigenes]]
    <text>to colour the structure by Evolutionary Conservation</text>
[[Category: Single protein]]
  </jmolCheckbox>
[[Category: Bingman, C A.]]
</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=2oa1 ConSurf].
[[Category: Bitto, E.]]
<div style="clear:both"></div>
[[Category: Jr., G N.Phillips.]]
== References ==
[[Category: Singh, S.]]
<references/>
[[Category: ADN]]
__TOC__
[[Category: CL]]
</StructureSection>
[[Category: FAD]]
[[Category: Large Structures]]
[[Category: TRP]]
[[Category: Lentzea aerocolonigenes]]
[[Category: biosynthetic protein]]
[[Category: Bingman CA]]
[[Category: flavin]]
[[Category: Bitto E]]
[[Category: flavoprotein]]
[[Category: Phillips Jr GN]]
[[Category: halogenase]]
[[Category: Singh S]]
[[Category: rebeccamycin]]
[[Category: rebh]]
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:57:07 2008''

Latest revision as of 03:16, 28 December 2023

Crystal Structure of RebH, a FAD-dependent halogenase from Lechevalieria aerocolonigenes, the L-Tryptophan with FAD complexCrystal Structure of RebH, a FAD-dependent halogenase from Lechevalieria aerocolonigenes, the L-Tryptophan with FAD complex

Structural highlights

2oa1 is a 2 chain structure with sequence from Lentzea aerocolonigenes. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.15Å
Ligands:, , ,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

REBH_LENAE Involved in the biosynthesis of the indolocarbazole antitumor agent rebeccamycin. Catalyzes the chlorination of tryptophan (Trp) at C7 position to yield 7-chlorotryptophan. The reaction between FADH2, Cl-, and O2 generates the powerful oxidant HOCl, which is presumed to carry out the chlorination reaction. The reaction of HOCl with the active site Lys-79 generates a lysine chloramine, which plays a key role in directing regiospecific chlorination of substrate in this important class of biosynthetic enzymes. It is also able to use bromide ions to generate monobrominated Trp.[1] [2] [3]

Evolutionary Conservation

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

References

  1. ↑ Sanchez C, Butovich IA, Brana AF, Rohr J, Mendez C, Salas JA. The biosynthetic gene cluster for the antitumor rebeccamycin: characterization and generation of indolocarbazole derivatives. Chem Biol. 2002 Apr;9(4):519-31. PMID:11983340
  2. ↑ Yeh E, Garneau S, Walsh CT. Robust in vitro activity of RebF and RebH, a two-component reductase/halogenase, generating 7-chlorotryptophan during rebeccamycin biosynthesis. Proc Natl Acad Sci U S A. 2005 Mar 15;102(11):3960-5. Epub 2005 Mar 2. PMID:15743914 doi:http://dx.doi.org/10.1073/pnas.0500755102
  3. ↑ Yeh E, Blasiak LC, Koglin A, Drennan CL, Walsh CT. Chlorination by a long-lived intermediate in the mechanism of flavin-dependent halogenases. Biochemistry. 2007 Feb 6;46(5):1284-92. PMID:17260957 doi:10.1021/bi0621213

2oa1, resolution 2.15Å

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