BMRB Entry 30303

Name: Solution Structure of ETS Transcription Factor PU.1
Published: 2018-06-07

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PDB ID: 5w3g
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30303
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution Structure of ETS Transcription Factor PU.1 PubMed: 30597162

Deposition date: 2017-06-07 Original release date: 2018-06-07

Authors: Lau, D.; Okon, M.; McIntosh, L.

Citation: Perez-Borrajero, Cecilia; Lin, Chang Sheng-Huei; Okon, Mark; Scheu, Karlton; Graves, Barbara; Murphy, Michael; McIntosh, Lawrence. "The Biophysical Basis for Phosphorylation-Enhanced DNA-Binding Autoinhibition of the ETS1 Transcription Factor." J. Mol. Biol. 431, 593-614 (2019).

Assembly members:
Transcription factor PU.1, polymer, 110 residues, 12932.241 Da.

Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):
Transcription factor PU.1: HIHMGSKKKIRLYQFLLDLL RSGDMKDSIWWVDKDKGTFQ FSSKHKEALAHRWGIQKGNR KKMTYQKMARALRNYGKTGE VKKVKKKLTYQFSGEVLGRG GLAERRLPPH

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list

Data type	Count
13C chemical shifts	464
15N chemical shifts	113
1H chemical shifts	665

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 110 residues - 12932.241 Da.

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

Samples:

sample_1: DNA binding protein, [U-99% 13C; U-99% 15N], 0.3 mM; potassium chloride 150 mM

sample_conditions_1: ionic strength: 150 mM; pH: 5.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1

Software:

CYANA, Guntert P. - refinement, structure calculation

NMRe, Ryu H, Lim G, Sung BH, Lee J. - refinement

SPARKY, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AvanceIII 850 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts

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

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

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