51V NMRCrystallography of Vanadium Chloroperoxidaseand Its Directed Evolution P395D/L241V/T343A Mutant: Protonation Environmentsof the Active Site

		BioNMR > Educational resources > Journal club
51V NMRCrystallography of Vanadium Chloroperoxidaseand Its Directed Evolution P395D/L241V/T343A Mutant: Protonation Environmentsof the Active Site

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:

Thread Tools

Search this Thread

Rate Thread

Display Modes

04-21-2015, 12:33 PM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,732

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

51V NMRCrystallography of Vanadium Chloroperoxidaseand Its Directed Evolution P395D/L241V/T343A Mutant: Protonation Environmentsof the Active Site

51V NMRCrystallography of Vanadium Chloroperoxidaseand Its Directed Evolution P395D/L241V/T343A Mutant: Protonation Environmentsof the Active Site

Rupal Gupta, Guangjin Hou, Rokus Renirie, Ron Wever and Tatyana Polenova

Journal of the American Chemical Society
DOI: 10.1021/jacs.5b02635

Source: Journal of the American Chemical Society

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[NMR paper] Site-specific protonation kinetics of acidic side chains in proteins determined by pH-dependent carboxyl 13C NMR relaxation. Site-specific protonation kinetics of acidic side chains in proteins determined by pH-dependent carboxyl 13C NMR relaxation. Related Articles Site-specific protonation kinetics of acidic side chains in proteins determined by pH-dependent carboxyl 13C NMR relaxation. J Am Chem Soc. 2015 Feb 10; Authors: Wallerstein J, Weininger U, Khan MA, Linse S, Akke M Abstract Proton transfer dynamics plays a critical role in many biochemical processes, such as proton pumping across membranes and enzyme catalysis. The large majority of enzymes...	nmrlearner	Journal club	0	02-11-2015 04:19 PM
Protonation States of the Tryptophan Synthase Internal Aldimine Active Site from Solid-State NMR Spectroscopy: Direct Observation of the Protonated Schiff Base Linkage to Pyridoxal-5?-Phosphate Protonation States of the Tryptophan Synthase Internal Aldimine Active Site from Solid-State NMR Spectroscopy: Direct Observation of the Protonated Schiff Base Linkage to Pyridoxal-5?-Phosphate Bethany G. Caulkins, Baback Bastin, Chen Yang, Thomas J. Neubauer, Robert P. Young, Eduardo Hilario, Yu-ming M. Huang, Chia-en A. Chang, Li Fan, Michael F. Dunn, Michael J. Marsella and Leonard J. Mueller http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja506267d/aop/images/medium/ja-2014-06267d_0003.gif Journal of the American Chemical Society...	nmrlearner	Journal club	0	09-04-2014 02:25 AM
[NMR paper] Mapping the UDP-N-acetylglucosamine regulatory site of human glucosamine-6P synthase by saturation-transfer difference NMR and site-directed mutagenesis. Mapping the UDP-N-acetylglucosamine regulatory site of human glucosamine-6P synthase by saturation-transfer difference NMR and site-directed mutagenesis. http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Mapping the UDP-N-acetylglucosamine regulatory site of human glucosamine-6P synthase by saturation-transfer difference NMR and site-directed mutagenesis. Biochimie. 2014 Feb;97:39-48 Authors: Assrir N, Richez C, Durand P, Guittet E, Badet B, Lescop E,...	nmrlearner	Journal club	0	08-27-2014 02:29 PM
[NMR paper] Preparation of Multiple Site-Specific Mutant Proteins for NMR Studies by PCR-Directed Cell-Free Protein Synthesis. Preparation of Multiple Site-Specific Mutant Proteins for NMR Studies by PCR-Directed Cell-Free Protein Synthesis. Preparation of Multiple Site-Specific Mutant Proteins for NMR Studies by PCR-Directed Cell-Free Protein Synthesis. Methods Mol Biol. 2014;1118:169-87 Authors: Ozawa K, Qi R Abstract Cell-free protein synthesis (CFPS) offers a fast and inexpensive approach to selectively label proteins with isotopes that can then be detected by nuclear magnetic resonance (NMR) spectroscopy directly in the translation mixture. We describe...	nmrlearner	Journal club	0	01-08-2014 11:23 AM
[NMR paper] Kinetic, Raman, NMR, and site-directed mutagenesis studies of the Pseudomonas sp. str Kinetic, Raman, NMR, and site-directed mutagenesis studies of the Pseudomonas sp. strain CBS3 4-hydroxybenzoyl-CoA thioesterase active site. Related Articles Kinetic, Raman, NMR, and site-directed mutagenesis studies of the Pseudomonas sp. strain CBS3 4-hydroxybenzoyl-CoA thioesterase active site. Biochemistry. 2002 Sep 17;41(37):11152-60 Authors: Zhuang Z, Song F, Zhang W, Taylor K, Archambault A, Dunaway-Mariano D, Dong J, Carey PR 4-Hydroxybenzoyl-coenzyme A (4-HBA-CoA) thioesterase catalyzes the hydrolysis of 4-HBA-CoA to 4-hydroxybenzoate...	nmrlearner	Journal club	0	11-24-2010 08:58 PM
[NMR paper] Site-directed mutagenesis, fluorescence, and two-dimensional NMR studies on microenvi Site-directed mutagenesis, fluorescence, and two-dimensional NMR studies on microenvironments of effector region aromatic residues of human c-Ha-Ras protein. Related Articles Site-directed mutagenesis, fluorescence, and two-dimensional NMR studies on microenvironments of effector region aromatic residues of human c-Ha-Ras protein. Biochemistry. 1994 Jan 11;33(1):65-73 Authors: Yamasaki K, Shirouzu M, Muto Y, Fujita-Yoshigaki J, Koide H, Ito Y, Kawai G, Hattori S, Yokoyama S, Nishimura S The Tyr residues in positions 32 and 40 of human c-Ha-Ras...	nmrlearner	Journal club	0	08-22-2010 03:33 AM
[NMR paper] Structural changes caused by site-directed mutagenesis of tyrosine-98 in Desulfovibri Structural changes caused by site-directed mutagenesis of tyrosine-98 in Desulfovibrio vulgaris flavodoxin delineated by 1H and 15N NMR spectroscopy: implications for redox potential modulation. Related Articles Structural changes caused by site-directed mutagenesis of tyrosine-98 in Desulfovibrio vulgaris flavodoxin delineated by 1H and 15N NMR spectroscopy: implications for redox potential modulation. Biochemistry. 1994 Dec 27;33(51):15298-308 Authors: Stockman BJ, Richardson TE, Swenson RP Flavodoxins mediate electron transfer at low redox...	nmrlearner	Journal club	0	08-22-2010 03:29 AM

« 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