6oz1 - Revision history

OCA at 07:19, 11 October 2023

OCA — Wed, 11 Oct 2023 07:19:58 GMT

←Older revision		Revision as of 07:19, 11 October 2023
Line 1:		Line 1:

	==Crystal structure of the adenylation (A) domain of the carboxylate reductase (CAR) GR01_22995 from Mycobacterium chelonae==		==Crystal structure of the adenylation (A) domain of the carboxylate reductase (CAR) GR01_22995 from Mycobacterium chelonae==
-	<StructureSection load='6oz1' size='340' side='right'caption='[[6oz1]]' scene=''>	+	<StructureSection load='6oz1' size='340' side='right'caption='[[6oz1]], [[Resolution\|resolution]] 1.97Å' 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=6OZ1 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6OZ1 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6oz1]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacteroides_chelonae Mycobacteroides chelonae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6OZ1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6OZ1 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=6oz1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6oz1 OCA], [~~http~~://pdbe.org/6oz1 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6oz1 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6oz1 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6oz1 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]] 1.97Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AMP:ADENOSINE+MONOPHOSPHATE'>AMP</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SIN:SUCCINIC+ACID'>SIN</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=6oz1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6oz1 OCA], [https://pdbe.org/6oz1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6oz1 RCSB], [https://www.ebi.ac.uk/pdbsum/6oz1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6oz1 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0A0E3TT64_MYCCH A0A0E3TT64_MYCCH] Catalyzes the ATP- and NADPH-dependent reduction of carboxylic acids to the corresponding aldehydes.[HAMAP-Rule:MF_02247]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Production of platform chemicals from renewable feedstocks is becoming increasingly important due to concerns on environmental contamination, climate change, and depletion of fossil fuels. Adipic acid (AA), 6-aminocaproic acid (6-ACA) and 1,6-hexamethylenediamine (HMD) are key precursors for nylon synthesis, which are currently produced primarily from petroleum-based feedstocks. In recent years, the biosynthesis of adipic acid from renewable feedstocks has been demonstrated using both bacterial and yeast cells. Here we report the biocatalytic conversion/transformation of AA to 6-ACA and HMD by carboxylic acid reductases (CARs) and transaminases (TAs), which involves two rounds (cascades) of reduction/amination reactions (AA --> 6-ACA --> HMD). Using purified wild type CARs and TAs supplemented with cofactor regenerating systems for ATP, NADPH, and amine donor, we established a one-pot enzyme cascade catalyzing up to 95% conversion of AA to 6-ACA. To increase the cascade activity for the transformation of 6-ACA to HMD, we determined the crystal structure of the CAR substrate-binding domain in complex with AMP and succinate and engineered three mutant CARs with enhanced activity against 6-ACA. In combination with TAs, the CAR L342E protein showed 50-75% conversion of 6-ACA to HMD. For the transformation of AA to HMD (via 6-ACA), the wild type CAR was combined with the L342E variant and two different TAs resulting in up to 30% conversion to HMD and 70% to 6-ACA. Our results highlight the suitability of CARs and TAs for several rounds of reduction/amination reactions in one-pot cascade systems and their potential for the biobased synthesis of terminal amines.
		+
		+	One-Pot Biocatalytic Transformation of Adipic Acid to 6-Aminocaproic Acid and 1,6-Hexamethylenediamine Using Carboxylic Acid Reductases and Transaminases.,Fedorchuk TP, Khusnutdinova AN, Evdokimova E, Flick R, Di Leo R, Stogios P, Savchenko A, Yakunin AF J Am Chem Soc. 2020 Jan 15;142(2):1038-1048. doi: 10.1021/jacs.9b11761. Epub 2020, Jan 7. PMID:31886667<ref>PMID:31886667</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6oz1" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
		+	[[Category: Mycobacteroides chelonae]]
	[[Category: Di Leo R]]		[[Category: Di Leo R]]
	[[Category: Evdokimova E]]		[[Category: Evdokimova E]]

OCA at 05:41, 22 April 2020

OCA — Wed, 22 Apr 2020 05:41:44 GMT

←Older revision		Revision as of 05:41, 22 April 2020
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6oz1 is ~~ON HOLD until Paper Publication~~	+	==Crystal structure of the adenylation (A) domain of the carboxylate reductase (CAR) GR01_22995 from Mycobacterium chelonae==
-		+	<StructureSection load='6oz1' size='340' side='right'caption='[[6oz1]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6OZ1 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6OZ1 FirstGlance]. <br>
-	~~Description~~:	+	</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=6oz1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6oz1 OCA], [http://pdbe.org/6oz1 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6oz1 RCSB], [http://www.ebi.ac.uk/pdbsum/6oz1 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6oz1 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Di Leo R]]
		+	[[Category: Evdokimova E]]
		+	[[Category: Fedorchuk T]]
		+	[[Category: Khusnutdinova A]]
		+	[[Category: Savchenko A]]
		+	[[Category: Stogios PJ]]
		+	[[Category: Yakunin AF]]

OCA at 07:13, 25 December 2019

OCA — Wed, 25 Dec 2019 07:13:34 GMT

←Older revision		Revision as of 07:13, 25 December 2019
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6oz1 is ON HOLD	+	The entry 6oz1 is ON HOLD until Paper Publication

	Authors:		Authors:

OCA at 05:46, 18 December 2019

OCA — Wed, 18 Dec 2019 05:46:37 GMT

←Older revision		Revision as of 05:46, 18 December 2019
Line 3:		Line 3:
	The entry 6oz1 is ON HOLD		The entry 6oz1 is ON HOLD

-	Authors: ~~Stogios, P.J., Evdokimova, E., Di Leo, R., Fedorchuk, T., Khusnutdinova, A., Yakunin, A.F., Savchenko, A.~~	+	Authors:

-	Description: ~~Crystal structure of the adenylation (A) domain of the carboxylate reductase (CAR) GR01_22995 from Mycobacterium chelonae~~	+	Description:
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
-	[[Category: Savchenko, A]]
-	[[Category: Di Leo, R]]
-	[[Category: Yakunin, A.F]]
-	[[Category: Stogios, P.J]]
-	[[Category: Khusnutdinova, A]]
-	[[Category: Evdokimova, E]]
-	[[Category: Fedorchuk, T]]

OCA at 13:31, 11 December 2019

OCA — Wed, 11 Dec 2019 13:31:13 GMT

←Older revision		Revision as of 13:31, 11 December 2019
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6oz1 is ON HOLD ~~until Paper Publication~~	+	The entry 6oz1 is ON HOLD

	Authors: Stogios, P.J., Evdokimova, E., Di Leo, R., Fedorchuk, T., Khusnutdinova, A., Yakunin, A.F., Savchenko, A.		Authors: Stogios, P.J., Evdokimova, E., Di Leo, R., Fedorchuk, T., Khusnutdinova, A., Yakunin, A.F., Savchenko, A.
Line 8:		Line 8:
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Savchenko, A]]		[[Category: Savchenko, A]]
		+	[[Category: Di Leo, R]]
	[[Category: Yakunin, A.F]]		[[Category: Yakunin, A.F]]
	[[Category: Stogios, P.J]]		[[Category: Stogios, P.J]]
-	[[Category: Di Leo, R]]
	[[Category: Khusnutdinova, A]]		[[Category: Khusnutdinova, A]]
	[[Category: Evdokimova, E]]		[[Category: Evdokimova, E]]
	[[Category: Fedorchuk, T]]		[[Category: Fedorchuk, T]]

OCA at 21:09, 5 June 2019

OCA — Wed, 05 Jun 2019 21:09:29 GMT

←Older revision		Revision as of 21:09, 5 June 2019
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6oz1 is ON HOLD	+	The entry 6oz1 is ON HOLD until Paper Publication

	Authors: Stogios, P.J., Evdokimova, E., Di Leo, R., Fedorchuk, T., Khusnutdinova, A., Yakunin, A.F., Savchenko, A.		Authors: Stogios, P.J., Evdokimova, E., Di Leo, R., Fedorchuk, T., Khusnutdinova, A., Yakunin, A.F., Savchenko, A.
Line 8:		Line 8:
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Savchenko, A]]		[[Category: Savchenko, A]]
-	[[Category: Di Leo, R]]
	[[Category: Yakunin, A.F]]		[[Category: Yakunin, A.F]]
	[[Category: Stogios, P.J]]		[[Category: Stogios, P.J]]
		+	[[Category: Di Leo, R]]
	[[Category: Khusnutdinova, A]]		[[Category: Khusnutdinova, A]]
	[[Category: Evdokimova, E]]		[[Category: Evdokimova, E]]
	[[Category: Fedorchuk, T]]		[[Category: Fedorchuk, T]]

OCA: Protected "6oz1" [edit=sysop:move=sysop]

OCA — Wed, 22 May 2019 04:07:58 GMT

Protected "6oz1" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:07, 22 May 2019

OCA: New page: '''Unreleased structure''' The entry 6oz1 is ON HOLD Authors: Stogios, P.J., Evdokimova, E., Di Leo, R., Fedorchuk, T., Khusnutdinova, A., Yakunin, A.F., Savchenko, A. Description: Cry...

OCA — Wed, 22 May 2019 04:07:57 GMT

New page: '''Unreleased structure''' The entry 6oz1 is ON HOLD Authors: Stogios, P.J., Evdokimova, E., Di Leo, R., Fedorchuk, T., Khusnutdinova, A., Yakunin, A.F., Savchenko, A. Description: Cry...

New page

'''Unreleased structure'''

The entry 6oz1 is ON HOLD

Authors: Stogios, P.J., Evdokimova, E., Di Leo, R., Fedorchuk, T., Khusnutdinova, A., Yakunin, A.F., Savchenko, A.

Description: Crystal structure of the adenylation (A) domain of the carboxylate reductase (CAR) GR01_22995 from Mycobacterium chelonae
[[Category: Unreleased Structures]]
[[Category: Savchenko, A]]
[[Category: Di Leo, R]]
[[Category: Yakunin, A.F]]
[[Category: Stogios, P.J]]
[[Category: Khusnutdinova, A]]
[[Category: Evdokimova, E]]
[[Category: Fedorchuk, T]]