BMRB Entry 26840

Name: '1H, 13C, and 15N Chemical Shift Assignments for the periplasmic domain of GacS histidine-kinase'
Published: 2017-02-20

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PDB ID: 5o7j
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26840
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: '1H, 13C, and 15N Chemical Shift Assignments for the periplasmic domain of GacS histidine-kinase' PubMed: 27714507

Deposition date: 2016-06-27 Original release date: 2017-02-20

Authors: Ali-Ahmad, Ahmad; Bornet, Olivier; Guerlesquin, Francoise; Sebban-Kreuzer, Corinne

Citation: Ali Ahmad, Ahmad; Bornet, Olivier; Guerlesquin, Francoise; Bourne, Yves; Vincent, Florence; Sebban-Kreuzer, Corinne. "NMR assignments of the GacS histidine-kinase periplasmic detection domain from Pseudomonas aeruginosa PAO1" Biomol. NMR Assignments 11, 25-28 (2017).

Assembly members:
GacSperi, polymer, 150 residues, Formula weight is not available

Natural source: Common Name: g-proteobacteria Taxonomy ID: 287 Superkingdom: Bacteria Kingdom: not available Genus/species: Pseudomonas aeruginosa

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

Entity Sequences (FASTA):
GacSperi: MGHHHHHHSSGVDLGTENLY FQSMRAQLIERGQLIAEQLA PLAATALARKDTAVLNRIAN EALDQPDVRAVTFLDARQER LAHAGPSMLTVAPAGDASHL SMSTELDTTHFLLPVLGRHH SLSGATEPDDERVLGWVELE LSHHGTLLRG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	568
15N chemical shifts	148
1H chemical shifts	968

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	GacSperi monomer	1

Entities:

Entity 1, GacSperi monomer 150 residues - Formula weight is not available

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

Samples:

sample_1: GacSperi 1 mM; sodium phosphate 50 mM; sodium chloride 150 mM; H2O 90%; D2O 10%

sample_2: GacSperi, [U-100% 15N], 0.8 mM; sodium phosphate 50 mM; sodium chloride 150 mM; H2O 90%; D2O 10%

sample_3: GacSperi, [U-100% 13C; U-100% 15N], 0.8 mM; sodium phosphate 50 mM; sodium chloride 150 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.2 M; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_2	isotropic	sample_conditions_1
3D HNHA	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_3	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_3	isotropic	sample_conditions_1
3D HNCO	sample_3	isotropic	sample_conditions_1
3D HCACO	sample_3	isotropic	sample_conditions_1
3D HNCA	sample_3	isotropic	sample_conditions_1
3D HN(CO)CA	sample_3	isotropic	sample_conditions_1
3D HNCACB	sample_3	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_3	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_3	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_3	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_3	isotropic	sample_conditions_1
2D CBCACO	sample_3	isotropic	sample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection, processing

CARA v1.9, CARA Definition Team (CDT) - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Uniform NMR System 950 MHz

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

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

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

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