NMR paper Investigations into the binding of jadomycin DS to human topoisomerase II? by WaterLOGSY NMR spectroscopy.

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[NMR paper] Investigations into the binding of jadomycin DS to human topoisomerase II? by WaterLOGSY NMR spectroscopy.

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NMR processing:

MDD

NMR assignment:

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Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

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Amber

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Homology-based:

Torsion angles from chemical shifts:

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TALOS

Promega- Proline

Secondary structure from chemical shifts:

CSI (via RCI server)

TALOS

MICS caps, β-turns

d2D

PECAN

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RCI

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HADDOCK

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Pseudocontact shifts:

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SAVES2 or SAVES4

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FANDAS

MestReS

V-NMR

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Backbone S2

Methyl S2

B-factor

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Shiftx2

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Camshift

CH3shift- Methyl

ArShift- Aromatic

ShiftS

Proshift

PPM

CheShift-2- Cα

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Shifty

Camcoil

Poulsen_rc_CS

Disordered proteins:

MAXOCC

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08-27-2015, 12:37 PM

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Investigations into the binding of jadomycin DS to human topoisomerase II? by WaterLOGSY NMR spectroscopy.

Investigations into the binding of jadomycin DS to human topoisomerase II? by WaterLOGSY NMR spectroscopy.

Related Articles Investigations into the binding of jadomycin DS to human topoisomerase II? by WaterLOGSY NMR spectroscopy.

Org Biomol Chem. 2015 Aug 26;

Authors: Martinez-Farina CF, McCormick N, Robertson AW, Clement H, Jee A, Ampaw A, Chan NL, Syvitski RT, Jakeman DL

Abstract
The jadomycins are a family of secondary metabolites produced by S. venezuelae ISP5230. Specific jadomycins have been shown to possess a variety of anticancer, antifungal, and antibacterial properties, with different molecular mechanisms of action. Herein we demonstrate qualitative and quantitative direct binding between the validated anticancer target human topoisomerase II? and jadomycin DS using WaterLOGSY NMR spectroscopy. Additionally, we report for the first time, that jadomycin DS also binds a variety of other proteins, likely in a non-specific manner. Such interactions may rationalize the potential polypharmacology of jadomycin DS.

PMID: 26309036 [PubMed - as supplied by publisher]

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