6u9i - Revision history

OCA at 07:47, 11 October 2023

OCA — Wed, 11 Oct 2023 07:47:07 GMT

←Older revision		Revision as of 07:47, 11 October 2023
Line 3:		Line 3:
	<StructureSection load='6u9i' size='340' side='right'caption='[[6u9i]], [[Resolution\|resolution]] 1.78Å' scene=''>		<StructureSection load='6u9i' size='340' side='right'caption='[[6u9i]], [[Resolution\|resolution]] 1.78Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6u9i]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Cbs_257.29 Cbs 257.29~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6U9I OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6U9I FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6u9i]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Penicillium_brevicompactum Penicillium brevicompactum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6U9I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6U9I FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene></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]] 1.777Å</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=6u9i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6u9i OCA], [~~http~~://pdbe.org/6u9i PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6u9i RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6u9i PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6u9i ProSAT]</span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</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=6u9i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6u9i OCA], [https://pdbe.org/6u9i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6u9i RCSB], [https://www.ebi.ac.uk/pdbsum/6u9i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6u9i ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0A5Q0MV05_PENBR A0A5Q0MV05_PENBR]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 20:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Cbs 257 29]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Adrover-Castellano~~, M L~~]]	+	[[Category: Penicillium brevicompactum]]
-	[[Category: Alegre-Requena~~, J V~~]]	+	[[Category: Adrover-Castellano ML]]
-	[[Category: Carney, N]]	+	[[Category: Alegre-Requena JV]]
-	[[Category: Du, L]]	+	[[Category: Carney N]]
-	[[Category: Fraley~~, A E~~]]	+	[[Category: Du L]]
-	[[Category: Kato, H]]	+	[[Category: Fraley AE]]
-	[[Category: Li, S]]	+	[[Category: Kato H]]
-	[[Category: McCauley, M]]	+	[[Category: Li S]]
-	[[Category: Minami, A]]	+	[[Category: McCauley M]]
-	[[Category: Mu, S]]	+	[[Category: Minami A]]
-	[[Category: Newmister~~, S A~~]]	+	[[Category: Mu S]]
-	[[Category: Oikawa, H]]	+	[[Category: Newmister SA]]
-	[[Category: Paton~~, R S~~]]	+	[[Category: Oikawa H]]
-	[[Category: Shende~~, V V~~]]	+	[[Category: Paton RS]]
-	[[Category: Sherman~~, D H~~]]	+	[[Category: Shende VV]]
-	[[Category: Tsukamoto, S]]	+	[[Category: Sherman DH]]
-	[[Category: Williams~~, R M~~]]	+	[[Category: Tsukamoto S]]
-	[[Category: Ye, Y]]	+	[[Category: Williams RM]]
-	[[Category: Zhang, W]]	+	[[Category: Ye Y]]
-	[[Category: Zhang, X]]	+	[[Category: Zhang W]]
-	~~[[Category: Isomerase]]~~	+	[[Category: Zhang X]]
-	~~[[Category: Pinacolase~~]]	+

OCA at 07:38, 30 September 2020

OCA — Wed, 30 Sep 2020 07:38:59 GMT

←Older revision		Revision as of 07:38, 30 September 2020
Line 1:		Line 1:

	==Crystal structure of BvnE pinacolase from Penicillium brevicompactum==		==Crystal structure of BvnE pinacolase from Penicillium brevicompactum==
-	<StructureSection load='6u9i' size='340' side='right'caption='[[6u9i]]' scene=''>	+	<StructureSection load='6u9i' size='340' side='right'caption='[[6u9i]], [[Resolution\|resolution]] 1.78Å' 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=6U9I OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6U9I FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6u9i]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Cbs_257.29 Cbs 257.29]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6U9I OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6U9I 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=6u9i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6u9i OCA], [http://pdbe.org/6u9i PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6u9i RCSB], [http://www.ebi.ac.uk/pdbsum/6u9i PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6u9i ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene></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=6u9i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6u9i OCA], [http://pdbe.org/6u9i PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6u9i RCSB], [http://www.ebi.ac.uk/pdbsum/6u9i PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6u9i ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Fungal bicyclo[2.2.2]diazaoctane indole alkaloids represent an important family of natural products with a wide-spectrum of biological activities. Although biomimetic total syntheses of representative compounds have been reported, the details of their biogenesis, especially the mechanisms for assembly of diastereomerically distinct and enantiomerically antipodal metabolites, have remained largely uncharacterized. Brevianamide A represents a basic form of the sub-family bearing a dioxopiperazine core and a rare 3-spiro-psi-indoxyl skeleton. Here, we identified the Brevianamide A biosynthetic gene cluster from Penicillium brevicompactum NRRL 864 and elucidated the metabolic pathway. BvnE was revealed to be an essential isomerase/semi-pinacolase that specifies selective production of the natural product. Structural elucidation, molecular modeling, and mutational analysis of BvnE, and quantum chemical calculations provided mechanistic insights into the diastereoselective formation of the 3-spiro-psi-indoxyl moiety in Brevianamide A. This occurs through a BvnE-controlled semi-pinacol rearrangement and a subsequent spontaneous intramolecular [4+2] hetero-Diels-Alder cycloaddition.
		+
		+	Fungal-derived brevianamide assembly by a stereoselective semipinacolase.,Ye Y, Du L, Zhang X, Newmister SA, McCauley M, Alegre-Requena JV, Zhang W, Mu S, Minami A, Fraley AE, Adrover-Castellano ML, Carney NA, Shende VV, Qi F, Oikawa H, Kato H, Tsukamoto S, Paton RS, Williams RM, Sherman DH, Li S Nat Catal. 2020 Jun;3(6):497-506. doi: 10.1038/s41929-020-0454-9. Epub 2020 May, 18. PMID:32923978<ref>PMID:32923978</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6u9i" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Cbs 257 29]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Adrover-Castellano ML]]	+	[[Category: Adrover-Castellano, M L]]
-	[[Category: Alegre-Requena JV]]	+	[[Category: Alegre-Requena, J V]]
-	[[Category: Carney N]]	+	[[Category: Carney, N]]
-	[[Category: Du L]]	+	[[Category: Du, L]]
-	[[Category: Fraley AE]]	+	[[Category: Fraley, A E]]
-	[[Category: Kato H]]	+	[[Category: Kato, H]]
-	[[Category: Li S]]	+	[[Category: Li, S]]
-	[[Category: McCauley M]]	+	[[Category: McCauley, M]]
-	[[Category: Minami A]]	+	[[Category: Minami, A]]
-	[[Category: Mu S]]	+	[[Category: Mu, S]]
-	[[Category: Newmister SA]]	+	[[Category: Newmister, S A]]
-	[[Category: Oikawa H]]	+	[[Category: Oikawa, H]]
-	[[Category: Paton RS]]	+	[[Category: Paton, R S]]
-	[[Category: Shende VV]]	+	[[Category: Shende, V V]]
-	[[Category: Sherman DH]]	+	[[Category: Sherman, D H]]
-	[[Category: Tsukamoto S]]	+	[[Category: Tsukamoto, S]]
-	[[Category: Williams RM]]	+	[[Category: Williams, R M]]
-	[[Category: Ye Y]]	+	[[Category: Ye, Y]]
-	[[Category: Zhang W]]	+	[[Category: Zhang, W]]
-	[[Category: Zhang X]]	+	[[Category: Zhang, X]]
		+	[[Category: Isomerase]]
		+	[[Category: Pinacolase]]

OCA at 09:32, 9 September 2020

OCA — Wed, 09 Sep 2020 09:32:13 GMT

←Older revision		Revision as of 09:32, 9 September 2020
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6u9i ~~is ON HOLD until Paper Publication~~	+	==Crystal structure of BvnE pinacolase from Penicillium brevicompactum==
-		+	<StructureSection load='6u9i' size='340' side='right'caption='[[6u9i]]' scene=''>
-	~~Authors~~: ~~Ye, Y~~.~~, Du, L~~.~~, Zhang, X~~.~~, Newmister, S~~.A.~~, McCauley, M~~.~~, Alegre-Requena, J~~.V.~~, Zhang, W~~., ~~Mu, S~~.~~, Minami, A~~.~~, Fraley, A~~.~~E., Adrover~~-~~Castellano~~, ~~M.L~~., ~~Carney, N~~.~~, Shende, V~~.V., ~~Oikawa, H~~.~~, Kato, H~~.~~, Tsukamoto, S~~., ~~Paton, R~~.~~S., Williams, R.M., Sherman, D.H., Li, S~~.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6U9I OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6U9I FirstGlance]. <br>
-	~~Description: Crystal structure of BvnE pinacolase from Penicillium brevicompactum~~	+	</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=6u9i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6u9i OCA], [http://pdbe.org/6u9i PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6u9i RCSB], [http://www.ebi.ac.uk/pdbsum/6u9i PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6u9i ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: ~~Tsukamoto, S~~]]	+	__TOC__
-	[[Category: ~~Li, S~~]]	+	</StructureSection>
-	[[Category: ~~Oikawa, H~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Newmister, S.A~~]]	+	[[Category: Adrover-Castellano ML]]
-	[[Category: ~~Ye, Y~~]]	+	[[Category: Alegre-Requena JV]]
-	[[Category: ~~Paton, R.S~~]]	+	[[Category: Carney N]]
-	[[Category: ~~Adrover-Castellano, M.L~~]]	+	[[Category: Du L]]
-	[[Category: ~~Carney, N~~]]	+	[[Category: Fraley AE]]
-	[[Category: ~~Zhang, W~~]]	+	[[Category: Kato H]]
-	[[Category: ~~Sherman, D.H~~]]	+	[[Category: Li S]]
-	[[Category: ~~Kato, H~~]]	+	[[Category: McCauley M]]
-	[[Category: ~~Fraley, A.E~~]]	+	[[Category: Minami A]]
-	[[Category: ~~Minami, A~~]]	+	[[Category: Mu S]]
-	[[Category: ~~Zhang, X~~]]	+	[[Category: Newmister SA]]
-	[[Category: ~~Mu, S~~]]	+	[[Category: Oikawa H]]
-	[[Category: ~~Alegre-Requena, J.V~~]]	+	[[Category: Paton RS]]
-	[[Category: ~~Du, L~~]]	+	[[Category: Shende VV]]
-	[[Category: ~~Shende, V.V~~]]	+	[[Category: Sherman DH]]
-	[[Category: ~~Williams, R.M~~]]	+	[[Category: Tsukamoto S]]
-	[[Category: ~~Mccauley, M~~]]	+	[[Category: Williams RM]]
		+	[[Category: Ye Y]]
		+	[[Category: Zhang W]]
		+	[[Category: Zhang X]]

OCA at 03:54, 10 October 2019

OCA — Thu, 10 Oct 2019 03:54:14 GMT

←Older revision		Revision as of 03:54, 10 October 2019
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6u9i is ON HOLD	+	The entry 6u9i is ON HOLD until Paper Publication

	Authors: Ye, Y., Du, L., Zhang, X., Newmister, S.A., McCauley, M., Alegre-Requena, J.V., Zhang, W., Mu, S., Minami, A., Fraley, A.E., Adrover-Castellano, M.L., Carney, N., Shende, V.V., Oikawa, H., Kato, H., Tsukamoto, S., Paton, R.S., Williams, R.M., Sherman, D.H., Li, S.		Authors: Ye, Y., Du, L., Zhang, X., Newmister, S.A., McCauley, M., Alegre-Requena, J.V., Zhang, W., Mu, S., Minami, A., Fraley, A.E., Adrover-Castellano, M.L., Carney, N., Shende, V.V., Oikawa, H., Kato, H., Tsukamoto, S., Paton, R.S., Williams, R.M., Sherman, D.H., Li, S.

OCA: Protected "6u9i" [edit=sysop:move=sysop]

OCA — Wed, 02 Oct 2019 08:25:50 GMT

Protected "6u9i" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:25, 2 October 2019

OCA: New page: '''Unreleased structure''' The entry 6u9i is ON HOLD Authors: Ye, Y., Du, L., Zhang, X., Newmister, S.A., McCauley, M., Alegre-Requena, J.V., Zhang, W., Mu, S., Minami, A., Fraley, A.E....

OCA — Wed, 02 Oct 2019 08:25:49 GMT

New page: '''Unreleased structure''' The entry 6u9i is ON HOLD Authors: Ye, Y., Du, L., Zhang, X., Newmister, S.A., McCauley, M., Alegre-Requena, J.V., Zhang, W., Mu, S., Minami, A., Fraley, A.E....

New page

'''Unreleased structure'''

The entry 6u9i is ON HOLD

Authors: Ye, Y., Du, L., Zhang, X., Newmister, S.A., McCauley, M., Alegre-Requena, J.V., Zhang, W., Mu, S., Minami, A., Fraley, A.E., Adrover-Castellano, M.L., Carney, N., Shende, V.V., Oikawa, H., Kato, H., Tsukamoto, S., Paton, R.S., Williams, R.M., Sherman, D.H., Li, S.

Description: Crystal structure of BvnE pinacolase from Penicillium brevicompactum
[[Category: Unreleased Structures]]
[[Category: Tsukamoto, S]]
[[Category: Li, S]]
[[Category: Oikawa, H]]
[[Category: Newmister, S.A]]
[[Category: Ye, Y]]
[[Category: Paton, R.S]]
[[Category: Adrover-Castellano, M.L]]
[[Category: Carney, N]]
[[Category: Zhang, W]]
[[Category: Sherman, D.H]]
[[Category: Kato, H]]
[[Category: Fraley, A.E]]
[[Category: Minami, A]]
[[Category: Zhang, X]]
[[Category: Mu, S]]
[[Category: Alegre-Requena, J.V]]
[[Category: Du, L]]
[[Category: Shende, V.V]]
[[Category: Williams, R.M]]
[[Category: Mccauley, M]]