BMRB Entry 53385

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments for human ATPase inhibitor IF1 (1-60)
Published: 2025-10-14

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53385

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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 human ATPase inhibitor IF1 (1-60)

Deposition date:

2025-10-09

Original release date:

2025-10-14

Authors:

Fabbian, Simone; Bellanda, Massimo

Citation:

Citation: Fabbian, Simone; Bellanda, Massimo. "Backbone 1H, 15N and 13C Assigned Chemical Shifts for human ATPase Inhibitor IF1 (1-60)" .

Assembly members:

Assembly members:
entity_1, polymer, 60 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: pET SUMO

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSDQSENVDRGAGSIREAGG AFGKREQAEEERYFRAQSRE QLAALKKHHEEEIVHHKKEI

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	154
15N chemical shifts	56
1H chemical shifts	56

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	IF1 (1-60)	1

Entities:

Entity 1, IF1 (1-60) 60 residues - Formula weight is not available

1	GLY	SER	ASP	GLN	SER	GLU	ASN	VAL	ASP	ARG
2	GLY	ALA	GLY	SER	ILE	ARG	GLU	ALA	GLY	GLY
3	ALA	PHE	GLY	LYS	ARG	GLU	GLN	ALA	GLU	GLU
4	GLU	ARG	TYR	PHE	ARG	ALA	GLN	SER	ARG	GLU
5	GLN	LEU	ALA	ALA	LEU	LYS	LYS	HIS	HIS	GLU
6	GLU	GLU	ILE	VAL	HIS	HIS	LYS	LYS	GLU	ILE

Samples:

sample_1: C-terminally truncated ATPase inhibitor IF1, [U-100% 13C; U-100% 15N], 280 uM; D2O, [U-100% 2H], 2 M; sodium azide 7 mM; PMSF 60 uM; sodium phosphate 50 mM; L-Arginine 50 mM; L-Glutamic acid 50 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 7; pressure: 1 atm; temperature: 280 K

Experiments:

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

Software:

CARA - chemical shift assignment

NMR spectrometers:

Bruker AVANCE NEO 600 MHz

1	GLY	SER	ASP	GLN	SER	GLU	ASN	VAL	ASP	ARG
2	GLY	ALA	GLY	SER	ILE	ARG	GLU	ALA	GLY	GLY
3	ALA	PHE	GLY	LYS	ARG	GLU	GLN	ALA	GLU	GLU
4	GLU	ARG	TYR	PHE	ARG	ALA	GLN	SER	ARG	GLU
5	GLN	LEU	ALA	ALA	LEU	LYS	LYS	HIS	HIS	GLU
6	GLU	GLU	ILE	VAL	HIS	HIS	LYS	LYS	GLU	ILE

1	GLY	SER	ASP	GLN	SER	GLU	ASN	VAL	ASP	ARG
2	GLY	ALA	GLY	SER	ILE	ARG	GLU	ALA	GLY	GLY
3	ALA	PHE	GLY	LYS	ARG	GLU	GLN	ALA	GLU	GLU
4	GLU	ARG	TYR	PHE	ARG	ALA	GLN	SER	ARG	GLU
5	GLN	LEU	ALA	ALA	LEU	LYS	LYS	HIS	HIS	GLU
6	GLU	GLU	ILE	VAL	HIS	HIS	LYS	LYS	GLU	ILE