BMRB Entry 18193

Name: 1H, 13C, and 15N chemical shift assignments for the N-terminal domain of Thermus thermophilus CdnL
Published: 2012-07-30

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PDB ID: 2lqk
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18193
MolProbity Validation Chart

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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 N-terminal domain of Thermus thermophilus CdnL PubMed: 22782235

Deposition date: 2012-01-12 Original release date: 2012-07-30

Authors: Jimenez, Angeles; Padmanabhan, S.

Citation: Gallego-Garcia, Aranzazu; Mirassou, Yasmina; Elias-Arnanz, Monserrat; Padmanabhan, S.; Jimenez, Angeles. "NMR structure note: N-terminal domain of Thermus thermophilus CdnL" J. Biomol. NMR 53, 355-363 (2012).

Assembly members:
TtCdnLNt, polymer, 70 residues, 7437.5 Da.

Natural source: Common Name: Thermus thermophilus Taxonomy ID: 274 Superkingdom: Bacteria Kingdom: not available Genus/species: Thermus thermophilus

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

Entity Sequences (FASTA):
TtCdnLNt: AGHMKEFRPGDKVVLPPYGV GVVAGIAQRSVSGVSRAYYQ VDFPGSRSKAYVPVEAPHSV GLRKALAPEE

Data sets:

assigned_chemical_shifts

Data type	Count
13C chemical shifts	278
15N chemical shifts	172
1H chemical shifts	587

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	TtCdnL	1

Entities:

Entity 1, TtCdnL 70 residues - 7437.5 Da.

AGH is the N-terminal cloning tag

1	ALA	GLY	HIS	MET	LYS	GLU	PHE	ARG	PRO	GLY
2	ASP	LYS	VAL	VAL	LEU	PRO	PRO	TYR	GLY	VAL
3	GLY	VAL	VAL	ALA	GLY	ILE	ALA	GLN	ARG	SER
4	VAL	SER	GLY	VAL	SER	ARG	ALA	TYR	TYR	GLN
5	VAL	ASP	PHE	PRO	GLY	SER	ARG	SER	LYS	ALA
6	TYR	VAL	PRO	VAL	GLU	ALA	PRO	HIS	SER	VAL
7	GLY	LEU	ARG	LYS	ALA	LEU	ALA	PRO	GLU	GLU

Samples:

sample_1: TtCdnLNt 1 mM; sodium phosphate 50 mM; sodium chloride 100 mM; sodium azide 0.05%; DSS 0.5 mM; H2O 90%; D2O 10%

sample_2: TtCdnLNt 1 mM; sodium phosphate 50 mM; sodium chloride 100 mM; sodium azide 0.05%; DSS 0.5 mM; D2O 100%

sample_3: TtCdnLNt, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 50 mM; sodium chloride 100 mM; sodium azide 0.05%; DSS 0.5 mM; H2O 90%; D2O 10%

sample_4: TtCdnLNt, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 50 mM; sodium chloride 100 mM; sodium azide 0.05%; DSS 0.5 mM; D2O 100%

sample_conditions_1: ionic strength: 0.15 M; pH: 7.0; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 0.15 M; pH: 7.0; pressure: 1 atm; temperature: 288 K

sample_conditions_3: ionic strength: 0.15 M; pH: 7.0; pressure: 1 atm; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H COSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_3	isotropic	sample_conditions_1
3D HNCO	sample_3	isotropic	sample_conditions_1
3D HNCA	sample_3	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_3	isotropic	sample_conditions_1
3D HNCACB	sample_3	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_3	isotropic	sample_conditions_1
3D HBHANH	sample_3	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_4	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_4	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_4	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_4	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_3	isotropic	sample_conditions_2
2D 1H-15N HSQC	sample_3	isotropic	sample_conditions_3

Software:

TOPSPIN, Bruker Biospin - collection, processing

SPARKY, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

Bruker Avance 800 MHz
Bruker Avance 600 MHz

PDB	2LQK 4L5G 4XAX 4XLR 4XLS
DBJ	BAD69991
GB	AAS82160 AEG32654 AFH38154 EIA39918 KHG65550
REF	WP_008630850 WP_011174173 WP_011227752 WP_019551571 WP_022798969

Biological Magnetic Resonance Data Bank