BMRB Entry 53092

Name: Hexahistidine SUMO model platform
Published: 2025-07-04

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53092

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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:

Hexahistidine SUMO model platform

Deposition date:

2025-04-30

Original release date:

2025-07-04

Authors:

Ulmer, Tobias; Qian, Meirui

Citation:

Citation: Ulmer, Tobias; Qian, Meirui. "Recombinant protein platform for high-throughput investigation of peptide-liposome interactions via fluorescence anisotropy depolarization" .

Assembly members:

Assembly members:
entity_1, polymer, 110 residues, Formula weight is not available

Natural source:

Natural source: Common Name: baker's yeast Taxonomy ID: 4932 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Saccharomyces cerevisiae

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MHHHHHHGSGSMSDSEVNQE AKPEVKPEVKPETHINLKVS DGSSEIFFKIKKTTPLRRLM EAFAKRQGKEMDSLRFLYDG IRIQADQTPEDLDMEDNDII EAHREQIGGC

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	92
15N chemical shifts	89
1H chemical shifts	89

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	His6-SUMO-tail-dye	1

Entities:

Entity 1, His6-SUMO-tail-dye 110 residues - Formula weight is not available

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

Samples:

sample_1: His6-SUMO-tail-dye, [U-99% 13C; U-99% 15N], 0.9 mM; MOPS 50 mM

sample_conditions_1: ionic strength: 0.05 M; pH: 7.0; pressure: 1 atm; temperature: 298.2 K

Experiments:

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

Software:

CARA - chemical shift assignment

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

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

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