Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53585

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Assignment of 1H, 13C, 15N backbone chemical shifts of BRCA1 467-696

Deposition date:

2026-02-25

Original release date:

2026-09-14

Authors:

Dinh, Hoang; Jasper, Angela; Baudin, Antoine; Rogers, Cody; Sung, Patrick; Libich, David

Citation:

Citation: Dinh, Hoang; Jasper, Angela; Baudin, Antoine; Sung, Patrick; Libich, David. "The 1H, 15N and 13C backbone resonance assignments of an intrinsically disordered region (467-696) of breast cancer type 1 susceptibility protein (BRCA1) " Biomol. NMR Assign. 20, 27-27 (2026).
PubMed: 42693354

Assembly members:

Assembly members:
entity_1, polymer, 230 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: pE-SUMO

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: KKASLPNLSHVTENLIIGAF VTEPQIIQERPLTNKLKRKR RPTSGLHPEDFIKKADLAVQ KTPEMINQGTNQTEQNGQVM NITNSGHENKTKGDSIQNEK NPNPIESLEKESAFKTKAEP ISSSISNMELELNIHNSKAP KKNRLRRKSSTRHIHALELV VSRNLSPPNCTELQIDSCSS SEEIKKKKYNQMPVRHSRNL QLMEGKEPATGAKKSNKPNE QTSKRHDSDT

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	670
15N chemical shifts	205
1H chemical shifts	205

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	BRCA1 467-696	1

Entities:

Entity 1, BRCA1 467-696 230 residues - Formula weight is not available

1	LYS	LYS	ALA	SER	LEU	PRO	ASN	LEU	SER	HIS
2	VAL	THR	GLU	ASN	LEU	ILE	ILE	GLY	ALA	PHE
3	VAL	THR	GLU	PRO	GLN	ILE	ILE	GLN	GLU	ARG
4	PRO	LEU	THR	ASN	LYS	LEU	LYS	ARG	LYS	ARG
5	ARG	PRO	THR	SER	GLY	LEU	HIS	PRO	GLU	ASP
6	PHE	ILE	LYS	LYS	ALA	ASP	LEU	ALA	VAL	GLN
7	LYS	THR	PRO	GLU	MET	ILE	ASN	GLN	GLY	THR
8	ASN	GLN	THR	GLU	GLN	ASN	GLY	GLN	VAL	MET
9	ASN	ILE	THR	ASN	SER	GLY	HIS	GLU	ASN	LYS
10	THR	LYS	GLY	ASP	SER	ILE	GLN	ASN	GLU	LYS
11	ASN	PRO	ASN	PRO	ILE	GLU	SER	LEU	GLU	LYS
12	GLU	SER	ALA	PHE	LYS	THR	LYS	ALA	GLU	PRO
13	ILE	SER	SER	SER	ILE	SER	ASN	MET	GLU	LEU
14	GLU	LEU	ASN	ILE	HIS	ASN	SER	LYS	ALA	PRO
15	LYS	LYS	ASN	ARG	LEU	ARG	ARG	LYS	SER	SER
16	THR	ARG	HIS	ILE	HIS	ALA	LEU	GLU	LEU	VAL
17	VAL	SER	ARG	ASN	LEU	SER	PRO	PRO	ASN	CYS
18	THR	GLU	LEU	GLN	ILE	ASP	SER	CYS	SER	SER
19	SER	GLU	GLU	ILE	LYS	LYS	LYS	LYS	TYR	ASN
20	GLN	MET	PRO	VAL	ARG	HIS	SER	ARG	ASN	LEU
21	GLN	LEU	MET	GLU	GLY	LYS	GLU	PRO	ALA	THR
22	GLY	ALA	LYS	LYS	SER	ASN	LYS	PRO	ASN	GLU
23	GLN	THR	SER	LYS	ARG	HIS	ASP	SER	ASP	THR

Samples:

sample_1: BRCA1 467-696, [U-100% 13C; U-100% 15N], 200 uM; KCl 150 mM

sample_conditions_1: ionic strength: 150 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

CcpNMR v2 - chemical shift assignment

NMRPipe - processing

NMRDraw - processing

TOPSPIN - collection

NMR spectrometers:

Bruker Avance 700 MHz

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

1	LYS	LYS	ALA	SER	LEU	PRO	ASN	LEU	SER	HIS
2	VAL	THR	GLU	ASN	LEU	ILE	ILE	GLY	ALA	PHE
3	VAL	THR	GLU	PRO	GLN	ILE	ILE	GLN	GLU	ARG
4	PRO	LEU	THR	ASN	LYS	LEU	LYS	ARG	LYS	ARG
5	ARG	PRO	THR	SER	GLY	LEU	HIS	PRO	GLU	ASP
6	PHE	ILE	LYS	LYS	ALA	ASP	LEU	ALA	VAL	GLN
7	LYS	THR	PRO	GLU	MET	ILE	ASN	GLN	GLY	THR
8	ASN	GLN	THR	GLU	GLN	ASN	GLY	GLN	VAL	MET
9	ASN	ILE	THR	ASN	SER	GLY	HIS	GLU	ASN	LYS
10	THR	LYS	GLY	ASP	SER	ILE	GLN	ASN	GLU	LYS
11	ASN	PRO	ASN	PRO	ILE	GLU	SER	LEU	GLU	LYS
12	GLU	SER	ALA	PHE	LYS	THR	LYS	ALA	GLU	PRO
13	ILE	SER	SER	SER	ILE	SER	ASN	MET	GLU	LEU
14	GLU	LEU	ASN	ILE	HIS	ASN	SER	LYS	ALA	PRO
15	LYS	LYS	ASN	ARG	LEU	ARG	ARG	LYS	SER	SER
16	THR	ARG	HIS	ILE	HIS	ALA	LEU	GLU	LEU	VAL
17	VAL	SER	ARG	ASN	LEU	SER	PRO	PRO	ASN	CYS
18	THR	GLU	LEU	GLN	ILE	ASP	SER	CYS	SER	SER
19	SER	GLU	GLU	ILE	LYS	LYS	LYS	LYS	TYR	ASN
20	GLN	MET	PRO	VAL	ARG	HIS	SER	ARG	ASN	LEU
21	GLN	LEU	MET	GLU	GLY	LYS	GLU	PRO	ALA	THR
22	GLY	ALA	LYS	LYS	SER	ASN	LYS	PRO	ASN	GLU
23	GLN	THR	SER	LYS	ARG	HIS	ASP	SER	ASP	THR

1	LYS	LYS	ALA	SER	LEU	PRO	ASN	LEU	SER	HIS
2	VAL	THR	GLU	ASN	LEU	ILE	ILE	GLY	ALA	PHE
3	VAL	THR	GLU	PRO	GLN	ILE	ILE	GLN	GLU	ARG
4	PRO	LEU	THR	ASN	LYS	LEU	LYS	ARG	LYS	ARG
5	ARG	PRO	THR	SER	GLY	LEU	HIS	PRO	GLU	ASP
6	PHE	ILE	LYS	LYS	ALA	ASP	LEU	ALA	VAL	GLN
7	LYS	THR	PRO	GLU	MET	ILE	ASN	GLN	GLY	THR
8	ASN	GLN	THR	GLU	GLN	ASN	GLY	GLN	VAL	MET
9	ASN	ILE	THR	ASN	SER	GLY	HIS	GLU	ASN	LYS
10	THR	LYS	GLY	ASP	SER	ILE	GLN	ASN	GLU	LYS
11	ASN	PRO	ASN	PRO	ILE	GLU	SER	LEU	GLU	LYS
12	GLU	SER	ALA	PHE	LYS	THR	LYS	ALA	GLU	PRO
13	ILE	SER	SER	SER	ILE	SER	ASN	MET	GLU	LEU
14	GLU	LEU	ASN	ILE	HIS	ASN	SER	LYS	ALA	PRO
15	LYS	LYS	ASN	ARG	LEU	ARG	ARG	LYS	SER	SER
16	THR	ARG	HIS	ILE	HIS	ALA	LEU	GLU	LEU	VAL
17	VAL	SER	ARG	ASN	LEU	SER	PRO	PRO	ASN	CYS
18	THR	GLU	LEU	GLN	ILE	ASP	SER	CYS	SER	SER
19	SER	GLU	GLU	ILE	LYS	LYS	LYS	LYS	TYR	ASN
20	GLN	MET	PRO	VAL	ARG	HIS	SER	ARG	ASN	LEU
21	GLN	LEU	MET	GLU	GLY	LYS	GLU	PRO	ALA	THR
22	GLY	ALA	LYS	LYS	SER	ASN	LYS	PRO	ASN	GLU
23	GLN	THR	SER	LYS	ARG	HIS	ASP	SER	ASP	THR

BMRB Entry 53585