BMRB Entry 51389

Name: 1H and 13C chemical shifts for a peptide encompassing residues 2-19 of the human formin INF2 in aqueous solution
Published: 2022-10-31

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51389

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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 and 13C chemical shifts for a peptide encompassing residues 2-19 of the human formin INF2 in aqueous solution

Deposition date:

2022-04-06

Original release date:

2022-10-31

Authors:

Jimenez, M. Angeles

Citation:

Citation: Labat-de-Hoz, Leticia; Comas, Laura; Rubio-Ramos, Armando; Casares-Arias, Javier; Fernandez-Martin, Laura; Pantoja-Uceda, David; Martin, M. Teresa; Kremer, Leonor; Jimenez, M. Angeles; Correas, Isabel; Alonso, Miguel. "Structure and function of the N-terminal extension of the formin INF2" Cell. Mol. Life Sci. 79, 571-571 (2022).
PubMed: 36306014

Assembly members:

Assembly members:
entity_1, polymer, 19 residues, 1998.38 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: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SVKEGAQRKWAALKEKLGX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
- assigned_chemical_shifts_2

Data type	Count
13C chemical shifts	124
1H chemical shifts	269

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	INF2(2-19)	1

Entities:

Entity 1, INF2(2-19) 19 residues - 1998.38 Da.

C-end amidated The C-terminal X corresponds to the C-terminal amide group

1

SER

VAL

LYS

GLU

GLY

ALA

GLN

ARG

LYS

TRP

2

ALA

LEU

LYS

GLU

LYS

LEU

GLY

NH2

Samples:

sample_1: INF2(2-19) 1 mM; D2O, [U-2H], 10 % v/v; H2O 90 % v/v; DSS 0.1 mM

sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 278 K

sample_conditions_2: pH: 5.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
1D 1H	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
1D 1H	sample_1	isotropic	sample_conditions_2
2D DQF-COSY	sample_1	isotropic	sample_conditions_2
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_2
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_2
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_2

Software:

TOPSPIN - collection, processing

NMRFAM-SPARKY - chemical shift assignment

NMR spectrometers:

Bruker AVANCE NEO 600 MHz MHz