BMRB Entry 26698

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments for rNedd4 WW3 Domain
Published: 2016-02-22

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26698

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Backbone 1H, 13C, and 15N Chemical Shift Assignments for rNedd4 WW3 Domain

Deposition date:

2015-10-27

Original release date:

2016-02-22

Authors:

Spagnol, Gaelle; Kieken, Fabien; Sorgen, Paul

Citation:

Citation: Spagnol, Gaelle; Kieken, Fabien; Kopanic, Jennifer; Li, Hanjun; Zach, Sydney; Stauch, Kelly; Grosely, Rosslyn; Sorgen, Paul. "Structural Studies of the Nedd4 WW Domains and their Selectivity for the Cx43 Carboxyl-terminus" J. Biol. Chem. 291, 7637-7650 (2016).
PubMed: 26841867

Assembly members:

Assembly members:
Nedd4_WW3, polymer, 39 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Norway rat Taxonomy ID: 10116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pGEX-KT

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Nedd4_WW3: GSLGPLPPGWEERTHTDGRV FFINHNIKKTQWEDPRMQN

Data sets:

assigned_chemical_shifts
- chemical_shift_set

Data type	Count
13C chemical shifts	133
15N chemical shifts	38
1H chemical shifts	240

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	rNedd4 WW3 Domain	1

Entities:

Entity 1, rNedd4 WW3 Domain 39 residues - Formula weight is not available

1

GLY

SER

LEU

GLY

PRO

LEU

PRO

GLY

TRP

2

GLU

ARG

THR

HIS

THR

ASP

GLY

ARG

VAL

3

PHE

ILE

ASN

HIS

ASN

ILE

LYS

THR

4

GLN

TRP

GLU

ASP

PRO

ARG

MET

GLN

ASN

Samples:

sample_1: Nedd4 WW3, [U-98% 13C; U-98% 15N], 1 mM; potassium phosphate 1.8 mM; DTT 1 mM; sodium chloride 137 mM; potassium chloride 2.7 mM; sodium phosphate 10 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 156 mM; pH: 7.5; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe, F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking, processing

NMRDraw, F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax - processing

NMR spectrometers:

Varian INOVA 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks