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1lcm

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Revision as of 12:23, 1 February 2023

NMR minimized average structure of microcystin-LR

Structural highlights

1lcm is a 1 chain structure with sequence from Microcystis aeruginosa. Full experimental information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:	, , , , ,
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Publication Abstract from PubMed

NMR spectroscopy in aqueous and dimethyl sulfoxide/water solutions is used to determine the three-dimensional structures of microcystin-LR, a cyclic cyanobacterial heptapeptide toxin which is a potent inhibitor of type 1 and type 2A protein phosphatases. The conformations of this toxic peptide are studied using a simulated annealing (SA) protocol followed by refined SA calculations in vacuo and free MD simulations in water. Only one conformational family in each solvent is found. The peptide ring has a saddle-shaped form, essentially the same in both solvents. The structural difference observed between the two solution structures is located to the part consisting of Mdha, Ala, and Leu. This peptide segment is not present in nodularin, a cyclic pentapeptide of similar toxicity. The Arg side chain is very flexible, while the side chain of Leu is well defined. The side chain of Adda, essential for toxicity, is constrained in the vicinity of the backbone ring but appears to be flexible in the more remote part.

Conformational studies of microcystin-LR using NMR spectroscopy and molecular dynamics calculations.,Trogen GB, Annila A, Eriksson J, Kontteli M, Meriluoto J, Sethson I, Zdunek J, Edlund U Biochemistry. 1996 Mar 12;35(10):3197-205. PMID:8605154^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Trogen GB, Annila A, Eriksson J, Kontteli M, Meriluoto J, Sethson I, Zdunek J, Edlund U. Conformational studies of microcystin-LR using NMR spectroscopy and molecular dynamics calculations. Biochemistry. 1996 Mar 12;35(10):3197-205. PMID:8605154 doi:http://dx.doi.org/10.1021/bi952368s

1 Structural highlights
2 Publication Abstract from PubMed
3 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/1lcm"

Categories: Large Structures | Microcystis aeruginosa | Trogen G | Zdunek J

@@ Line 1: / Line 1: @@
 ==NMR minimized average structure of microcystin-LR==
-<StructureSection load='1lcm' size='340' side='right'caption='[[1lcm]], [[NMR_Ensembles_of_Models | 1 NMR models]]' scene=''>
+<StructureSection load='1lcm' size='340' side='right'caption='[[1lcm]]' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[1lcm]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Iam_m-247 Iam m-247]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LCM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1LCM FirstGlance]. <br>
+<table><tr><td colspan='2'>[[1lcm]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Microcystis_aeruginosa Microcystis aeruginosa]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LCM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1LCM FirstGlance]. <br>
-</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=1ZN:(2S,3S,4E,6E,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-DIENOIC+ACID'>1ZN</scene>, <scene name='pdbligand=ACB:3-METHYL-BETA-D-ASPARTIC+ACID'>ACB</scene>, <scene name='pdbligand=DAL:D-ALANINE'>DAL</scene>, <scene name='pdbligand=DAM:N-METHYL-ALPHA-BETA-DEHYDROALANINE'>DAM</scene>, <scene name='pdbligand=FGA:GAMMA-D-GLUTAMIC+ACID'>FGA</scene></td></tr>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1ZN:(2S,3S,4E,6E,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-DIENOIC+ACID'>1ZN</scene>, <scene name='pdbligand=ACB:3-METHYL-BETA-D-ASPARTIC+ACID'>ACB</scene>, <scene name='pdbligand=DAL:D-ALANINE'>DAL</scene>, <scene name='pdbligand=DAM:N-METHYL-ALPHA-BETA-DEHYDROALANINE'>DAM</scene>, <scene name='pdbligand=FGA:GAMMA-D-GLUTAMIC+ACID'>FGA</scene>, <scene name='pdbligand=PRD_000212:Microcystin+LR'>PRD_000212</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=1lcm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1lcm OCA], [https://pdbe.org/1lcm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1lcm RCSB], [https://www.ebi.ac.uk/pdbsum/1lcm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1lcm ProSAT]</span></td></tr>
 </table>
@@ Line 20: / Line 20: @@
 __TOC__
 </StructureSection>
-[[Category: Iam m-247]]
 [[Category: Large Structures]]
-[[Category: Trogen, G]]
+[[Category: Microcystis aeruginosa]]
-[[Category: Zdunek, J]]
+[[Category: Trogen G]]
-[[Category: Hydrolase inhibitor]]
+[[Category: Zdunek J]]
-[[Category: Toxin]]

1lcm

From Proteopedia

Revision as of 12:23, 1 February 2023

NMR minimized average structure of microcystin-LR

Structural highlights

Publication Abstract from PubMed

References

Contents

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