Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53788

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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:

1H, 13C, and 15N backbone resonance assignment of a protein encompassing the two PDZ domains of human NHERF1

Deposition date:

2026-05-19

Original release date:

2026-11-01

Authors:

Hornero-Romera, Almudena; Trevino, Miguel; Pantoja-Uceda, David; Jimenez, M. Angeles

Citation:

Citation: Hornero-Romera, Almudena; Trevino, Miguel; Pantoja-Uceda, David; Millan, Jaime; Jimenez, M. Angeles. "1H, 13C, and 15N backbone resonance assignment of the N-terminal 280 amino acids of human NHERF1 protein " Biomol. NMR Assign. 20, 31-31 (2026).
PubMed: 42955470

Assembly members:

Assembly members:
entity_1, polymer, 280 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: pET24(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MAHHHHHHGGLPRLCCLEKG PNGYGFHLHGEKGKLGQYIR LVEPGSPAEKAGLLAGDRLV EVNGENVEKETHQQVVSRIR AALNAVRLLVVDPETDEQLQ KLGVQVREELLRAQEAPGQA EPPAAAEVQGAGNENEPREA DKSHPEQRELRPRLCTMKKG PSGYGFNLHSDKSKPGQFIR SVDPDSPAEASGLRAQDRIV EVNGVCMEGKQHGDVVSAIR AGGDETKLLVVDRETDEFFK KCRVIPSQEHLNGPLPVPFT NGEIQKENSREALAEAALES

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	809
15N chemical shifts	265
1H chemical shifts	280

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PDZ1-2	1

Entities:

Entity 1, PDZ1-2 280 residues - Formula weight is not available

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

Samples:

sample_1: PDZ1-2, [U-99% 13C; U-99% 15N], 0.85 mM; H2O 90%; D2O, [U-99.96% 2H], 10%; potassium phosphate 5 mM; sodium chloride 10 mM; beta-mercaptoethanol 2 mM

sample_conditions_1: ionic strength: 15 mM; pH: 6.4; 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 HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1

Software:

NMRFAM-SPARKY - chemical shift assignment

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

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

BMRB Entry 53788