BMRB Entry 51979

Name: 1H, 13C, and 15N Chemical Shift Assignments for human PHOX2B C-terminal domain at 298K
Published: 2024-03-05

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PDB ID: 8pui
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51979
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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:

1H, 13C, and 15N Chemical Shift Assignments for human PHOX2B C-terminal domain at 298K

Deposition date:

2023-05-26

Original release date:

2024-03-05

Authors:

Anton, Rosa; Trevino, Miguel A.; Pantoja-Uceda, David; Oroz, Javier

Citation:

Citation: Anton, Rosa; Trevino, Miguel A.; Pantoja-Uceda, David; Felix, Sara; Babu, Maria; Cabrita, Eurico J.; Zweckstetter, Markus; Tinnefeld, Philip; Vera, Andres M.; Oroz, Javier. "Alternative low-populated conformations prompt phase transitions in polyalanine repeat expansions" Nat. Commun. 15, 1925-1925 (2024).
PubMed: 38431667

Assembly members:

Assembly members:
entity_1, polymer, 87 residues, 7500 Da.

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: pET28

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GPGGPGGEPGKGGAAAAAAA AAAAAAAAAAAAAGGLAAAG GPGQGWAPGPGPITSIPDSL GGPFASVLSSLQRPNGAKAA LVKSSMF

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	201
15N chemical shifts	71
1H chemical shifts	361

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	human PHOX2B C-terminal domain	1

Entities:

Entity 1, human PHOX2B C-terminal domain 87 residues - 7500 Da.

1

GLY

PRO

GLY

PRO

GLY

GLU

PRO

GLY

2

LYS

GLY

ALA

3

ALA

4

ALA

GLY

LEU

ALA

GLY

5

GLY

PRO

GLY

GLN

GLY

TRP

ALA

PRO

GLY

PRO

6

GLY

PRO

ILE

THR

SER

ILE

PRO

ASP

SER

LEU

7

GLY

PRO

PHE

ALA

SER

VAL

LEU

SER

8

LEU

GLN

ARG

PRO

ASN

GLY

ALA

LYS

ALA

9

LEU

VAL

LYS

SER

MET

PHE

Samples:

sample_1: human PHOX2B C-terminal domain, [U-99% 13C; U-99% 15N], 0.5 mM; potassium phosphate 5 mM; sodium chloride 10 mM; beta-mercaptoethanol 2 mM

sample_conditions_1: ionic strength: 10 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D CON	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1

Software:

NMRFAM-SPARKY v3.190 - 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