[ASAP] Information-Rich, Dual-Function 13C/2H-Isotopic Crosstalk NMR Assay for Human Serine Racemase (hSR) Provides a PLP-Enzyme “Partitioning Fingerprint” and Reveals Disparate Chemotypes for hSR Inhibition

		BioNMR > Educational resources > Journal club
[ASAP] Information-Rich, Dual-Function 13C/2H-Isotopic Crosstalk NMR Assay for Human Serine Racemase (hSR) Provides a PLP-Enzyme “Partitioning Fingerprint” and Reveals Disparate Chemotypes for hSR Inhibition

Webservers

NMR processing:

MDD

NMR assignment:

Backbone:

Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

Template-based:

GeNMR

I-TASSER

Refinement:

Amber

Structure from chemical shifts:

Fragment-based:

Homology-based:

Torsion angles from chemical shifts:

Preditor

TALOS

Promega- Proline

Secondary structure from chemical shifts:

CSI (via RCI server)

TALOS

MICS caps, β-turns

d2D

PECAN

Flexibility from chemical shifts:

RCI

Interactions from chemical shifts:

HADDOCK

Chemical shifts re-referencing:

NMR model quality:

NOEs, other restraints:

Chemical shifts:

RDCs:

Pseudocontact shifts:

Protein geomtery:

SAVES2 or SAVES4

Quality Control Check

NMR spectrum prediction:

FANDAS

MestReS

V-NMR

Flexibility from structure:

Backbone S2

Methyl S2

B-factor

Molecular dynamics:

Gromacs

Amber

Antechamber

Chemical shifts prediction:

From structure:

Shiftx2

Sparta+

Camshift

CH3shift- Methyl

ArShift- Aromatic

ShiftS

Proshift

PPM

CheShift-2- Cα

From sequence:

Shifty

Camcoil

Poulsen_rc_CS

Disordered proteins:

MAXOCC

Format conversion & validation:

CCPN

From NMR-STAR 3.1

Validate NMR-STAR 3.1

NMR sample preparation:

Protein disorder:

DisMeta

Protein solubility:

Isotope labeling:

Solid-state NMR:

View First Unread

Thread Tools

Search this Thread

Rate Thread

Display Modes

01-27-2023, 05:53 PM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,212

Points: 193,617, Level: 100

Level up: 0%, 0 Points needed

Activity: 50.7%

Last Achievements

Award-Showcase

NMR Credits: 0

NMR Points: 193,617

Downloads: 0

Uploads: 0

[ASAP] Information-Rich, Dual-Function 13C/2H-Isotopic Crosstalk NMR Assay for Human Serine Racemase (hSR) Provides a PLP-Enzyme “Partitioning Fingerprint” and Reveals Disparate Chemotypes for hSR Inhibition

Stephany M. Ramos de Dios, Jared L. Hass, Danielle L. Graham, Nivesh Kumar, Aina E. Antony, Martha D. Morton, and David B. Berkowitz

Journal of the American Chemical Society
DOI: 10.1021/jacs.2c12774

Source: Journal of the American Chemical Society

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[ASAP] Binding Affinity and Function of the Extremely Disordered Protein Complex Containing Human Linker Histone H1.0 and Its Chaperone ProTa Binding Affinity and Function of the Extremely Disordered Protein Complex Containing Human Linker Histone H1.0 and Its Chaperone ProTa https://pubs.acs.org/appl/literatum/publisher/achs/journals/content/bichaw/0/bichaw.ahead-of-print/acs.biochem.8b01075/20181119/images/medium/bi-2018-01075n_0004.gif Biochemistry DOI: 10.1021/acs.biochem.8b01075 http://feeds.feedburner.com/~ff/acs/bichaw?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/bichaw/~4/uyaYq1aE9Ks More...	nmrlearner	Journal club	0	11-25-2018 06:02 AM
[ASAP] The Human Amyloid Precursor Protein Binds Copper Ions Dominated by a Picomolar-Affinity Site in the Helix-Rich E2 Domain The Human Amyloid Precursor Protein Binds Copper Ions Dominated by a Picomolar-Affinity Site in the Helix-Rich E2 Domain https://pubs.acs.org/appl/literatum/publisher/achs/journals/content/bichaw/0/bichaw.ahead-of-print/acs.biochem.8b00572/20180626/images/medium/bi-2018-00572h_0012.gif Biochemistry DOI: 10.1021/acs.biochem.8b00572 http://feeds.feedburner.com/~ff/acs/bichaw?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/bichaw/~4/0YhCYVxyXp8 More...	nmrlearner	Journal club	0	06-27-2018 01:51 AM
[U. of Ottawa NMR Facility Blog] Information-Rich 13C Satellites Information-Rich 13C Satellites Seemingly simple NMR spectra often contain much more information than one might think. For example, the 1H NMR spectrum of 1,4-dioxane is primarily a singlet from which one obtains only an isotropic 1H chemical shift value. There is however much more information available in the spectrum which is often not recognized or used. The 1H NMR spectrum of a naturally occurring sample of 1,4-dioxane is the weighted sum of the 1H spectra of all possible isotopomers. It is the dominant tetra-12C isotopomer that gives rise to the singlet but since 13C (spin I =...	nmrlearner	News from NMR blogs	0	06-20-2018 08:56 PM
[ASAP] Multiplexed Real-Time NMR GTPase Assay for Simultaneous Monitoring of Multiple Guanine Nucleotide Exchange Factor Activities from Human Cancer Cells and Organoids Multiplexed Real-Time NMR GTPase Assay for Simultaneous Monitoring of Multiple Guanine Nucleotide Exchange Factor Activities from Human Cancer Cells and Organoids Teklab Gebregiworgis, Christopher B. Marshall, Tadateru Nishikawa, Nikolina Radulovich, María-José Sandí, Zhenhao Fang, Robert Rottapel, Ming-Sound Tsao, Mitsuhiko Ikura https://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/jacs.7b13703/20180322/images/medium/ja-2017-13703a_0005.gif Journal of the American Chemical Society DOI: 10.1021/jacs.7b13703...	nmrlearner	Journal club	0	03-22-2018 06:35 PM
[NMR paper] Assessment of the structure of pegylated-recombinant protein therapeutics by the NMR fingerprint assay. Assessment of the structure of pegylated-recombinant protein therapeutics by the NMR fingerprint assay. Related Articles Assessment of the structure of pegylated-recombinant protein therapeutics by the NMR fingerprint assay. J Pharm Biomed Anal. 2017 Feb 16;138:351-356 Authors: Hodgson DJ, Aubin Y Abstract A number of recombinant protein therapeutic products, such as filgrastim (methionyl granulocyte colony stimulating factor used to boost the immune system in chemotherapy treated cancer patients), and interferon alpha-2 (used...	nmrlearner	Journal club	0	03-04-2017 12:19 PM
Assessment of the structure of pegylated-recombinant protein therapeutics by the NMR fingerprint assay Assessment of the structure of pegylated-recombinant protein therapeutics by the NMR fingerprint assay Publication date: Available online 16 February 2017 Source:Journal of Pharmaceutical and Biomedical Analysis</br> Author(s): Derek J. Hodgson, Yves Aubin</br> A number of recombinant protein therapeutic products, such as filgrastim (methionyl granulocyte colony stimulating factor used to boost the immune system in chemotherapy treated cancer patients), and interferon alpha-2 (used for the treatment of various viral infections), have been chemically modified...	nmrlearner	Journal club	0	02-17-2017 07:32 AM
[NMR paper] NMR structure of human restriction factor APOBEC3A reveals substrate binding and enzyme specificity. NMR structure of human restriction factor APOBEC3A reveals substrate binding and enzyme specificity. Related Articles NMR structure of human restriction factor APOBEC3A reveals substrate binding and enzyme specificity. Nat Commun. 2013;4:1890 Authors: Byeon IJ, Ahn J, Mitra M, Byeon CH, Hercík K, Hritz J, Charlton LM, Levin JG, Gronenborn AM Abstract Human APOBEC3A is a single-stranded DNA cytidine deaminase that restricts viral pathogens and endogenous retrotransposons, and has a role in the innate immune response. Furthermore, its...	nmrlearner	Journal club	0	05-23-2013 06:54 PM
[NMR paper] ?-Sheet Nanocrystalline Domains Formed from Phosphorylated Serine-Rich Motifs in Caddisfly Larval Silk: A Solid State NMR and XRD Study. ?-Sheet Nanocrystalline Domains Formed from Phosphorylated Serine-Rich Motifs in Caddisfly Larval Silk: A Solid State NMR and XRD Study. ?-Sheet Nanocrystalline Domains Formed from Phosphorylated Serine-Rich Motifs in Caddisfly Larval Silk: A Solid State NMR and XRD Study. Biomacromolecules. 2013 Mar 4; Authors: Addison JB, Ashton NN, Weber WS, Stewart RJ, Holland GP, Yarger JL Abstract Adhesive silks spun by aquatic caddisfly (order Trichoptera) larvae are used to build both intricate protective shelters and food harvesting nets...	nmrlearner	Journal club	0	03-05-2013 03:25 PM

« Previous Thread | Next Thread »

Posting Rules
You may not post new threads You may not post replies You may not post attachments You may not edit your posts BB code is On Smilies are On [IMG] code is On HTML code is On Trackbacks are Off Pingbacks are Off Refbacks are Off