BMRB Entry 50468

Name: Backbone 1H, 13C and 15N Chemical Shift Assignments for Retracted State of S65-phosphorylated NEDD8
Published: 2021-08-24

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50468

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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 Retracted State of S65-phosphorylated NEDD8

Deposition date:

2020-09-12

Original release date:

2021-08-24

Authors:

Stuber, Katrin; Schneider, Tobias; Kovermann, Michael; Werner, Jill; Marx, Andreas; Scheffner, Martin

Citation:

Citation: Stuber, Katrin; Schneider, Tobias; Werner, Jill; Kovermann, Michael; Marx, Andreas; Scheffner, Martin. "Structural and functional consequences of NEDD8 phosphorylation" Nat. Commun. 12, 5939-5939 (2021).
PubMed: 34642328

Assembly members:

Assembly members:
entity_1, polymer, 76 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pKS NEDD8 S65TAG-His6

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MLIKVKTLTGKEIEIDIEPT DKVERIKERVEEKEGIPPQQ QRLIYSGKQMNDEKTAADYK ILGGXVLHLVLALRGG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	126
15N chemical shifts	60
1H chemical shifts	60

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	pNEDD8	1

Entities:

Entity 1, pNEDD8 76 residues - Formula weight is not available

1

MET

LEU

ILE

LYS

VAL

LYS

THR

LEU

THR

GLY

2

LYS

GLU

ILE

GLU

ILE

ASP

ILE

GLU

PRO

THR

3

ASP

LYS

VAL

GLU

ARG

ILE

LYS

GLU

ARG

VAL

4

GLU

LYS

GLU

GLY

ILE

PRO

GLN

5

GLN

ARG

LEU

ILE

TYR

SER

GLY

LYS

GLN

MET

6

ASN

ASP

GLU

LYS

THR

ALA

ASP

TYR

LYS

7

ILE

LEU

GLY

SEP

VAL

LEU

HIS

LEU

VAL

8

LEU

ALA

LEU

ARG

GLY

Samples:

sample_1: pNEDD8, [U-15N], 80 uM; HEPES 20 mM; sodium chloride 150 mM

sample_2: pNEDD8, [U-13C; U-15N], 320 uM; HEPES 20 mM; sodium chloride 150 mM

sample_conditions_1: pH: 7.4; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N TROSY-HSQC	sample_2	isotropic	sample_conditions_1
3D TROSY-HNCA	sample_2	isotropic	sample_conditions_1
3D TROSY-HNCO	sample_2	isotropic	sample_conditions_1
3D TROSY-HN(CO)CACB	sample_2	isotropic	sample_conditions_1
3D TROSY-HNCACB	sample_2	isotropic	sample_conditions_1

Software:

TOPSPIN - collection

NMRPipe - processing

NMRView - chemical shift assignment

NMR spectrometers:

Bruker AVANCE NEO 800 MHz

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