BMRB Entry 52872

Name: AGR2 (42-171) Q56W
Published: 2025-10-20

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52872

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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:

AGR2 (42-171) Q56W

Deposition date:

2025-01-20

Original release date:

2025-10-20

Authors:

Kuchersky, Miriam; Rosenzweig, Rina

Citation:

Citation: Neidhardt, Lisa; Tung, Joanne; Kuchersky, Miriam; Milczarek, Jakub; Kargas, Vassileios; Stott, Katherine; Rosenzweig, Rina; Ron, David; Yan, Yahui. "A structural basis for chaperone repression of stress signalling from the endoplasmic reticulum" .

Assembly members:

Assembly members:
entity_1, polymer, 130 residues, 15083.38 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: recombinant technology Host organism: Escherichia coli Vector: pET-SUMO

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: QTLSRGWGDQLIWTWTYEEA LYKSKTSNKPLMIIHHLDEC PHSQALKKVFAENKEIQKLA EQFVLLNLVYETTDKHLSPD GQYVPRIMFVDPSLTVRADI TGRYSNRLYAYEPADTALLL DNMKKALKLL

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	377
15N chemical shifts	122
1H chemical shifts	122

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	AGR2 (42-171) Q56W	1

Entities:

Entity 1, AGR2 (42-171) Q56W 130 residues - 15083.38 Da.

1	GLN	THR	LEU	SER	ARG	GLY	TRP	GLY	ASP	GLN
2	LEU	ILE	TRP	THR	TRP	THR	TYR	GLU	GLU	ALA
3	LEU	TYR	LYS	SER	LYS	THR	SER	ASN	LYS	PRO
4	LEU	MET	ILE	ILE	HIS	HIS	LEU	ASP	GLU	CYS
5	PRO	HIS	SER	GLN	ALA	LEU	LYS	LYS	VAL	PHE
6	ALA	GLU	ASN	LYS	GLU	ILE	GLN	LYS	LEU	ALA
7	GLU	GLN	PHE	VAL	LEU	LEU	ASN	LEU	VAL	TYR
8	GLU	THR	THR	ASP	LYS	HIS	LEU	SER	PRO	ASP
9	GLY	GLN	TYR	VAL	PRO	ARG	ILE	MET	PHE	VAL
10	ASP	PRO	SER	LEU	THR	VAL	ARG	ALA	ASP	ILE
11	THR	GLY	ARG	TYR	SER	ASN	ARG	LEU	TYR	ALA
12	TYR	GLU	PRO	ALA	ASP	THR	ALA	LEU	LEU	LEU
13	ASP	ASN	MET	LYS	LYS	ALA	LEU	LYS	LEU	LEU

Samples:

sample_1: AGR2 (42-171) Q56W, [U-100% 13C; U-100% 15N], 2 mM; NaPi 50 mM; NaCl 50 mM; TCEP 0.5 mM; NaN3 0.02%

sample_conditions_1: ionic strength: 143 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

TOPSPIN - collection, processing

NMRPipe - data analysis, processing

CcpNMR v3 - chemical shift assignment

NMR spectrometers:

Bruker AVANCE NEO 600 MHz

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

1	GLN	THR	LEU	SER	ARG	GLY	TRP	GLY	ASP	GLN
2	LEU	ILE	TRP	THR	TRP	THR	TYR	GLU	GLU	ALA
3	LEU	TYR	LYS	SER	LYS	THR	SER	ASN	LYS	PRO
4	LEU	MET	ILE	ILE	HIS	HIS	LEU	ASP	GLU	CYS
5	PRO	HIS	SER	GLN	ALA	LEU	LYS	LYS	VAL	PHE
6	ALA	GLU	ASN	LYS	GLU	ILE	GLN	LYS	LEU	ALA
7	GLU	GLN	PHE	VAL	LEU	LEU	ASN	LEU	VAL	TYR
8	GLU	THR	THR	ASP	LYS	HIS	LEU	SER	PRO	ASP
9	GLY	GLN	TYR	VAL	PRO	ARG	ILE	MET	PHE	VAL
10	ASP	PRO	SER	LEU	THR	VAL	ARG	ALA	ASP	ILE
11	THR	GLY	ARG	TYR	SER	ASN	ARG	LEU	TYR	ALA
12	TYR	GLU	PRO	ALA	ASP	THR	ALA	LEU	LEU	LEU
13	ASP	ASN	MET	LYS	LYS	ALA	LEU	LYS	LEU	LEU

1	GLN	THR	LEU	SER	ARG	GLY	TRP	GLY	ASP	GLN
2	LEU	ILE	TRP	THR	TRP	THR	TYR	GLU	GLU	ALA
3	LEU	TYR	LYS	SER	LYS	THR	SER	ASN	LYS	PRO
4	LEU	MET	ILE	ILE	HIS	HIS	LEU	ASP	GLU	CYS
5	PRO	HIS	SER	GLN	ALA	LEU	LYS	LYS	VAL	PHE
6	ALA	GLU	ASN	LYS	GLU	ILE	GLN	LYS	LEU	ALA
7	GLU	GLN	PHE	VAL	LEU	LEU	ASN	LEU	VAL	TYR
8	GLU	THR	THR	ASP	LYS	HIS	LEU	SER	PRO	ASP
9	GLY	GLN	TYR	VAL	PRO	ARG	ILE	MET	PHE	VAL
10	ASP	PRO	SER	LEU	THR	VAL	ARG	ALA	ASP	ILE
11	THR	GLY	ARG	TYR	SER	ASN	ARG	LEU	TYR	ALA
12	TYR	GLU	PRO	ALA	ASP	THR	ALA	LEU	LEU	LEU
13	ASP	ASN	MET	LYS	LYS	ALA	LEU	LYS	LEU	LEU

1	GLN	THR	LEU	SER	ARG	GLY	TRP	GLY	ASP	GLN
2	LEU	ILE	TRP	THR	TRP	THR	TYR	GLU	GLU	ALA
3	LEU	TYR	LYS	SER	LYS	THR	SER	ASN	LYS	PRO
4	LEU	MET	ILE	ILE	HIS	HIS	LEU	ASP	GLU	CYS
5	PRO	HIS	SER	GLN	ALA	LEU	LYS	LYS	VAL	PHE
6	ALA	GLU	ASN	LYS	GLU	ILE	GLN	LYS	LEU	ALA
7	GLU	GLN	PHE	VAL	LEU	LEU	ASN	LEU	VAL	TYR
8	GLU	THR	THR	ASP	LYS	HIS	LEU	SER	PRO	ASP
9	GLY	GLN	TYR	VAL	PRO	ARG	ILE	MET	PHE	VAL
10	ASP	PRO	SER	LEU	THR	VAL	ARG	ALA	ASP	ILE
11	THR	GLY	ARG	TYR	SER	ASN	ARG	LEU	TYR	ALA
12	TYR	GLU	PRO	ALA	ASP	THR	ALA	LEU	LEU	LEU
13	ASP	ASN	MET	LYS	LYS	ALA	LEU	LYS	LEU	LEU