BMRB Entry 25866

Name: Solution Structure of the rNedd4 WW2 Domain by NMR
Published: 2016-02-22

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PDB ID: 2n8u
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25866
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution Structure of the rNedd4 WW2 Domain by NMR PubMed: 26841867

Deposition date: 2015-10-27 Original release date: 2016-02-22

Authors: Spagnol, Gaelle; Kieken, Fabien; Sorgen, Paul

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).

Assembly members:
rNedd4_WW2, polymer, 39 residues, 4436.736 Da.

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

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):
rNedd4_WW2: GSSSGLPPGWEEKQDDRGRS YYVDHNSKTTTWSKPTMED

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	118
15N chemical shifts	35
1H chemical shifts	223

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	rNedd4 WW2 Domain	1

Entities:

Entity 1, rNedd4 WW2 Domain 39 residues - 4436.736 Da.

1

GLY

SER

GLY

LEU

PRO

GLY

TRP

2

GLU

LYS

GLN

ASP

ARG

GLY

ARG

SER

3

TYR

VAL

ASP

HIS

ASN

SER

LYS

THR

4

THR

TRP

SER

LYS

PRO

THR

MET

GLU

ASP

Samples:

sample_1: rNedd4 WW2, [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

sample_conditions_1: ionic strength: 156 mM; pH: 7.5; pressure: 1 atm; temperature: 298 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:

ARIA v1.1, Dr. Michael Nilges, Institut Pasteur - geometry optimization, refinement, structure solution

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

Varian INOVA 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts