BMRB Entry 52491

Name: 1H, 13C and 15N chemical shifts for a peptide encompassing residues 967-991 of the human formin INF2 in the presence of 30 % trifluoroethanol
Published: 2025-11-18

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PDB ID: 9g7t
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52491
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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 shifts for a peptide encompassing residues 967-991 of the human formin INF2 in the presence of 30 % trifluoroethanol

Deposition date:

2024-06-04

Original release date:

2025-11-18

Authors:

Jimenez, M. Angeles; Morales, Paula

Citation:

Citation: Morales, Paula; Jimenez, M. Angeles. "Structural and functional dissection of the WH2/DAD motif of INF2, a formin linked to human inherited degenerative disorders" FEBS J. ., .-. (2025).
PubMed: 40993919

Assembly members:

Assembly members:
entity_1, polymer, 27 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: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XQEEVSVIDALLADIRKGFQ LRKTARX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
- assigned_chemical_shifts_2

Data type	Count
13C chemical shifts	170
15N chemical shifts	30
1H chemical shifts	360

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DAD	1

Entities:

Entity 1, DAD 27 residues - Formula weight is not available

1

ACE

GLN

GLU

VAL

SER

VAL

ILE

ASP

ALA

2

LEU

ALA

ASP

ILE

ARG

LYS

GLY

PHE

GLN

3

LEU

ARG

LYS

THR

ALA

ARG

NH2

Samples:

sample_1: DAD 1 mM; H20 63 % v/v; D2O, [U, 2H], 7 % v/v; TFE, [U-99% 2H], 30 % v/v; DSS 0.1 mM

sample_2: DAD 0.5 mM; D2O, [U, 2H], 70 % v/v; TFE, [U-99% 2H], 30 % v/v; DSS 0.1 mM

sample_conditions_1: ionic strength: 0 M; 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 COSY	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 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
1D 1H	sample_2	isotropic	sample_conditions_1
2D 1H-1H COSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_2	isotropic	sample_conditions_1

Software:

TOPSPIN - collection

TOPSPIN - processing

NMRFAM-SPARKY - chemical shift assignment

NMR spectrometers:

Bruker Avance 600 MHz

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