7cu0 - Revision history

OCA at 16:16, 29 November 2023

OCA — Wed, 29 Nov 2023 16:16:20 GMT

←Older revision		Revision as of 16:16, 29 November 2023
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	==Crystal structure of Streptomyces albogriseolus flavin-dependent tryptophan 6-halogenase Thal in complex with tryptophan==		==Crystal structure of Streptomyces albogriseolus flavin-dependent tryptophan 6-halogenase Thal in complex with tryptophan==
-	<StructureSection load='7cu0' size='340' side='right'caption='[[7cu0]]' scene=''>	+	<StructureSection load='7cu0' size='340' side='right'caption='[[7cu0]], [[Resolution\|resolution]] 1.95Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7CU0 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=7CU0 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7cu0]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_albogriseolus Streptomyces albogriseolus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7CU0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7CU0 FirstGlance]. <br>
-	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=7cu0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7cu0 OCA], [~~http~~://pdbe.org/7cu0 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=7cu0 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/7cu0 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=7cu0 ProSAT]</span></td></tr>	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 1.95Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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=7cu0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7cu0 OCA], [https://pdbe.org/7cu0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7cu0 RCSB], [https://www.ebi.ac.uk/pdbsum/7cu0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7cu0 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A1E280_STRAO A1E280_STRAO]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Although flavin-dependent halogenases (FDHs) are attractive biocatalysts, their practical applications are limited because of their low catalytic efficiency. Here, we investigated the reaction mechanisms and structures of tryptophan 6-halogenase (Thal) from Streptomyces albogriseolus using stopped-flow, rapid-quench flow, quantum/mechanics molecular mechanics calculations, crystallography, and detection of intermediate (hypohalous acid [HOX]) liberation. We found that the key flavin intermediate, C4a-hydroperoxyflavin (C4aOOH-FAD), formed by Thal and other FDHs (tryptophan 7-halogenase [PrnA] and tryptophan 5-halogenase [PyrH]), can react with I(-), Br(-), and Cl(-) but not F(-) to form C4a-hydroxyflavin and HOX. Our experiments revealed that I(-) reacts with C4aOOH-FAD the fastest with the lowest energy barrier and have shown for the first time that a significant amount of the HOX formed leaks out as free HOX. This leakage is probably a major cause of low product coupling ratios in all FDHs. Site-saturation mutagenesis of Lys79 showed that changing Lys79 to any other amino acid resulted in an inactive enzyme. However, the levels of liberated HOX of these variants are all similar, implying that Lys79 probably does not form a chloramine or bromamine intermediate as previously proposed. Computational calculations revealed that Lys79 has an abnormally lower pKa compared with other Lys residues, implying that the catalytic Lys may act as a proton donor in catalysis. Analysis of new X-ray structures of Thal also explains why premixing of FDHs with reduced flavin adenine dinucleotide generally results in abolishment of C4aOOH-FAD formation. These findings reveal the hidden factors restricting FDHs capability which should be useful for future development of FDHs applications.
		+
		+	Dissecting the low catalytic capability of flavin-dependent halogenases.,Phintha A, Prakinee K, Jaruwat A, Lawan N, Visitsatthawong S, Kantiwiriyawanitch C, Songsungthong W, Trisrivirat D, Chenprakhon P, Mulholland A, van Pee KH, Chitnumsub P, Chaiyen P J Biol Chem. 2021 Jan-Jun;296:100068. doi: 10.1074/jbc.RA120.016004. Epub 2020 , Nov 23. PMID:33465708<ref>PMID:33465708</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7cu0" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
		+	[[Category: Streptomyces albogriseolus]]
	[[Category: Chaiyen P]]		[[Category: Chaiyen P]]
	[[Category: Chitnumsub P]]		[[Category: Chitnumsub P]]
	[[Category: Jaruwat A]]		[[Category: Jaruwat A]]
	[[Category: Phintha A]]		[[Category: Phintha A]]

OCA at 06:59, 25 November 2020

OCA — Wed, 25 Nov 2020 06:59:03 GMT

←Older revision		Revision as of 06:59, 25 November 2020
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-	'''Unreleased structure'''

-	~~The entry 7cu0 is ON HOLD until Paper Publication~~	+	==Crystal structure of Streptomyces albogriseolus flavin-dependent tryptophan 6-halogenase Thal in complex with tryptophan==
-		+	<StructureSection load='7cu0' size='340' side='right'caption='[[7cu0]]' scene=''>
-	~~Authors: Chitnumsub, P., Jaruwat, A., Phintha, A., Chaiyen, P.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7CU0 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=7CU0 FirstGlance]. <br>
-	~~Description:~~ Crystal structure of Streptomyces albogriseolus flavin-dependent tryptophan 6-halogenase Thal in complex with tryptophan	+	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=7cu0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7cu0 OCA], [http://pdbe.org/7cu0 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=7cu0 RCSB], [http://www.ebi.ac.uk/pdbsum/7cu0 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=7cu0 ProSAT]</span></td></tr>
-	[[~~Category~~: ~~Unreleased Structures~~]]	+	</table>
-	[[~~Category~~: ~~Jaruwat~~, A]]	+	__TOC__
-	[[Category: ~~Phintha, A~~]]	+	</StructureSection>
-	[[Category: Chaiyen, P]]	+	[[Category: Large Structures]]
-	[[Category: Chitnumsub, P]]	+	[[Category: Chaiyen P]]
		+	[[Category: Chitnumsub P]]
		+	[[Category: Jaruwat A]]
		+	[[Category: Phintha A]]

OCA at 06:48, 16 September 2020

OCA — Wed, 16 Sep 2020 06:48:56 GMT

←Older revision		Revision as of 06:48, 16 September 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7cu0 is ON HOLD	+	The entry 7cu0 is ON HOLD until Paper Publication

	Authors: Chitnumsub, P., Jaruwat, A., Phintha, A., Chaiyen, P.		Authors: Chitnumsub, P., Jaruwat, A., Phintha, A., Chaiyen, P.
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	Description: Crystal structure of Streptomyces albogriseolus flavin-dependent tryptophan 6-halogenase Thal in complex with tryptophan		Description: Crystal structure of Streptomyces albogriseolus flavin-dependent tryptophan 6-halogenase Thal in complex with tryptophan
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
		+	[[Category: Jaruwat, A]]
	[[Category: Phintha, A]]		[[Category: Phintha, A]]
	[[Category: Chaiyen, P]]		[[Category: Chaiyen, P]]
	[[Category: Chitnumsub, P]]		[[Category: Chitnumsub, P]]
-	[[Category: Jaruwat, A]]

OCA: Protected "7cu0" [edit=sysop:move=sysop]

OCA — Wed, 26 Aug 2020 09:30:00 GMT

Protected "7cu0" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:30, 26 August 2020

OCA: New page: '''Unreleased structure''' The entry 7cu0 is ON HOLD Authors: Chitnumsub, P., Jaruwat, A., Phintha, A., Chaiyen, P. Description: Crystal structure of Streptomyces albogriseolus flavin-...

OCA — Wed, 26 Aug 2020 09:29:59 GMT

New page: '''Unreleased structure''' The entry 7cu0 is ON HOLD Authors: Chitnumsub, P., Jaruwat, A., Phintha, A., Chaiyen, P. Description: Crystal structure of Streptomyces albogriseolus flavin-...

New page

'''Unreleased structure'''

The entry 7cu0 is ON HOLD

Authors: Chitnumsub, P., Jaruwat, A., Phintha, A., Chaiyen, P.

Description: Crystal structure of Streptomyces albogriseolus flavin-dependent tryptophan 6-halogenase Thal in complex with tryptophan
[[Category: Unreleased Structures]]
[[Category: Phintha, A]]
[[Category: Chaiyen, P]]
[[Category: Chitnumsub, P]]
[[Category: Jaruwat, A]]