6xa3 - Revision history

OCA at 14:47, 18 October 2023

2023-10-18T14:47:46Z

←Older revision		Revision as of 14:47, 18 October 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[6xa3]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_sp._307-9 Streptomyces sp. 307-9]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6XA3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6XA3 FirstGlance]. <br>		<table><tr><td colspan='2'>[[6xa3]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_sp._307-9 Streptomyces sp. 307-9]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6XA3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6XA3 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</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]] 2.96Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><~~div style~~='~~overflow~~: ~~auto; max-height: 3em;~~'>~~[[6xa2\|6xa2]]~~</~~div~~></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</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=6xa3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6xa3 OCA], [https://pdbe.org/6xa3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6xa3 RCSB], [https://www.ebi.ac.uk/pdbsum/6xa3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6xa3 ProSAT]</span></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=6xa3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6xa3 OCA], [https://pdbe.org/6xa3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6xa3 RCSB], [https://www.ebi.ac.uk/pdbsum/6xa3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6xa3 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/D3Y1J3_9ACTN D3Y1J3_9ACTN]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 23:		Line 25:
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Streptomyces sp. 307-9]]		[[Category: Streptomyces sp. 307-9]]
-	[[Category: Espinoza~~, R V~~]]	+	[[Category: Espinoza RV]]
-	[[Category: Garcia-Borras, M]]	+	[[Category: Garcia-Borras M]]
-	[[Category: Haatveit~~, K C~~]]	+	[[Category: Haatveit KC]]
-	[[Category: Houk~~, K N~~]]	+	[[Category: Houk KN]]
-	[[Category: Khatri, Y]]	+	[[Category: Khatri Y]]
-	[[Category: Martini~~, R M~~]]	+	[[Category: Martini RM]]
-	[[Category: Newmister~~, S A~~]]	+	[[Category: Newmister SA]]
-	[[Category: Podust~~, L M~~]]	+	[[Category: Podust LM]]
-	[[Category: Sherman~~, D H~~]]	+	[[Category: Sherman DH]]
-	[[Category: Srivastava~~, K R]]~~	+	[[Category: Srivastava KR]]
-	~~[[Category: Monooxygenase]]~~	+
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: P450~~]]	+

OCA at 15:32, 22 December 2021

2021-12-22T15:32:16Z

←Older revision		Revision as of 15:32, 22 December 2021
Line 1:		Line 1:

	==Structure of the ligand free P450 monooxygenase TamI==		==Structure of the ligand free P450 monooxygenase TamI==
-	<StructureSection load='6xa3' size='340' side='right'caption='[[6xa3]]' scene=''>	+	<StructureSection load='6xa3' size='340' side='right'caption='[[6xa3]], [[Resolution\|resolution]] 2.96Å' 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=6XA3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6XA3 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6xa3]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_sp._307-9 Streptomyces sp. 307-9]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6XA3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6XA3 FirstGlance]. <br>
-	</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=6xa3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6xa3 OCA], [https://pdbe.org/6xa3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6xa3 RCSB], [https://www.ebi.ac.uk/pdbsum/6xa3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6xa3 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=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[6xa2\|6xa2]]</div></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=6xa3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6xa3 OCA], [https://pdbe.org/6xa3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6xa3 RCSB], [https://www.ebi.ac.uk/pdbsum/6xa3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6xa3 ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Biocatalysis offers an expanding and powerful strategy to construct and diversify complex molecules by C horizontal line H bond functionalization. Due to their high selectivity, enzymes have become an essential tool for C horizontal line H bond functionalization and offer complementary reactivity to small-molecule catalysts. Hemoproteins, particularly cytochromes P450, have proven effective for selective oxidation of unactivated C horizontal line H bonds. Previously, we reported the in vitro characterization of an oxidative tailoring cascade in which TamI, a multifunctional P450 functions co-dependently with the TamL flavoprotein to catalyze regio- and stereoselective hydroxylations and epoxidation to yield tirandamycin A and tirandamycin B. TamI follows a defined order including 1) C10 hydroxylation, 2) C11/C12 epoxidation, and 3) C18 hydroxylation. Here we present a structural, biochemical, and computational investigation of TamI to understand the molecular basis of its substrate binding, diverse reactivity, and specific reaction sequence. The crystal structure of TamI in complex with tirandamycin C together with molecular dynamics simulations and targeted mutagenesis suggest that hydrophobic interactions with the polyene chain of its natural substrate are critical for molecular recognition. QM calculations and molecular dynamics simulations of TamI with variant substrates provided detailed information on the molecular basis of sequential reactivity, and pattern of regio- and stereo-selectivity in catalyzing the three-step oxidative cascade.
		+
		+	Molecular Basis of Iterative C horizontal line H Oxidation by TamI, a Multifunctional P450 monooxygenase from the Tirandamycin Biosynthetic Pathway.,Newmister SA, Srivastava KR, Espinoza RV, Haatveit KC, Khatri Y, Martini RM, Garcia-Borras M, Podust LM, Houk KN, Sherman DH ACS Catal. 2020 Nov 20;10(22):13445-13454. doi: 10.1021/acscatal.0c03248. Epub, 2020 Nov 4. PMID:33569241<ref>PMID:33569241</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6xa3" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Espinoza RV]]	+	[[Category: Streptomyces sp. 307-9]]
-	[[Category: Garcia-Borras M]]	+	[[Category: Espinoza, R V]]
-	[[Category: Haatveit KC]]	+	[[Category: Garcia-Borras, M]]
-	[[Category: Houk KN]]	+	[[Category: Haatveit, K C]]
-	[[Category: Khatri Y]]	+	[[Category: Houk, K N]]
-	[[Category: Martini RM]]	+	[[Category: Khatri, Y]]
-	[[Category: Newmister SA]]	+	[[Category: Martini, R M]]
-	[[Category: Podust LM]]	+	[[Category: Newmister, S A]]
-	[[Category: Sherman DH]]	+	[[Category: Podust, L M]]
-	[[Category: Srivastava KR]]	+	[[Category: Sherman, D H]]
		+	[[Category: Srivastava, K R]]
		+	[[Category: Monooxygenase]]
		+	[[Category: Oxidoreductase]]
		+	[[Category: P450]]

OCA at 07:28, 25 June 2021

2021-06-25T07:28:22Z

←Older revision		Revision as of 07:28, 25 June 2021
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6xa3 is ~~ON HOLD~~	+	==Structure of the ligand free P450 monooxygenase TamI==
-		+	<StructureSection load='6xa3' size='340' side='right'caption='[[6xa3]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6XA3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6XA3 FirstGlance]. <br>
-	~~Description~~:	+	</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=6xa3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6xa3 OCA], [https://pdbe.org/6xa3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6xa3 RCSB], [https://www.ebi.ac.uk/pdbsum/6xa3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6xa3 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Espinoza RV]]
		+	[[Category: Garcia-Borras M]]
		+	[[Category: Haatveit KC]]
		+	[[Category: Houk KN]]
		+	[[Category: Khatri Y]]
		+	[[Category: Martini RM]]
		+	[[Category: Newmister SA]]
		+	[[Category: Podust LM]]
		+	[[Category: Sherman DH]]
		+	[[Category: Srivastava KR]]

OCA at 08:38, 17 June 2020

2020-06-17T08:38:22Z

←Older revision		Revision as of 08:38, 17 June 2020
Line 3:		Line 3:
	The entry 6xa3 is ON HOLD		The entry 6xa3 is ON HOLD

-	Authors: ~~Newmister, S.A., Srivastava, K.R., Espinoza, R.V., Haatveit, K.C., Khatri, Y., Martini, R.M., Garcia-Borras, M., Podust, L.M., Houk, K.N., Sherman, D.H.~~	+	Authors:

-	Description: ~~Structure of the ligand free P450 monooxygenase TamI~~	+	Description:
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
-	[[Category: Khatri, Y]]
-	[[Category: Espinoza, R.V]]
-	[[Category: Newmister, S.A]]
-	[[Category: Garcia-Borras, M]]
-	[[Category: Sherman, D.H]]
-	[[Category: Srivastava, K.R]]
-	[[Category: Martini, R.M]]
-	[[Category: Podust, L.M]]
-	[[Category: Haatveit, K.C]]
-	[[Category: Houk, K.N]]

OCA: Protected "6xa3" [edit=sysop:move=sysop]

2020-06-10T05:02:39Z

Protected "6xa3" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:02, 10 June 2020

OCA: New page: '''Unreleased structure''' The entry 6xa3 is ON HOLD Authors: Newmister, S.A., Srivastava, K.R., Espinoza, R.V., Haatveit, K.C., Khatri, Y., Martini, R.M., Garcia-Borras, M., Podust, L....

2020-06-10T05:02:37Z

New page: '''Unreleased structure''' The entry 6xa3 is ON HOLD Authors: Newmister, S.A., Srivastava, K.R., Espinoza, R.V., Haatveit, K.C., Khatri, Y., Martini, R.M., Garcia-Borras, M., Podust, L....

New page

'''Unreleased structure'''

The entry 6xa3 is ON HOLD

Authors: Newmister, S.A., Srivastava, K.R., Espinoza, R.V., Haatveit, K.C., Khatri, Y., Martini, R.M., Garcia-Borras, M., Podust, L.M., Houk, K.N., Sherman, D.H.

Description: Structure of the ligand free P450 monooxygenase TamI
[[Category: Unreleased Structures]]
[[Category: Khatri, Y]]
[[Category: Espinoza, R.V]]
[[Category: Newmister, S.A]]
[[Category: Garcia-Borras, M]]
[[Category: Sherman, D.H]]
[[Category: Srivastava, K.R]]
[[Category: Martini, R.M]]
[[Category: Podust, L.M]]
[[Category: Haatveit, K.C]]
[[Category: Houk, K.N]]