BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 18193

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 typeCount
13C chemical shifts278
15N chemical shifts172
1H chemical shifts587

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1TtCdnL1

Entities:

Entity 1, TtCdnL 70 residues - 7437.5 Da.

AGH is the N-terminal cloning tag

1   ALAGLYHISMETLYSGLUPHEARGPROGLY
2   ASPLYSVALVALLEUPROPROTYRGLYVAL
3   GLYVALVALALAGLYILEALAGLNARGSER
4   VALSERGLYVALSERARGALATYRTYRGLN
5   VALASPPHEPROGLYSERARGSERLYSALA
6   TYRVALPROVALGLUALAPROHISSERVAL
7   GLYLEUARGLYSALALEUALAPROGLUGLU

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:

NameSampleSample stateSample conditions
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_3isotropicsample_conditions_1
3D HNCOsample_3isotropicsample_conditions_1
3D HNCAsample_3isotropicsample_conditions_1
3D CBCA(CO)NHsample_3isotropicsample_conditions_1
3D HNCACBsample_3isotropicsample_conditions_1
3D HBHA(CO)NHsample_3isotropicsample_conditions_1
3D HBHANHsample_3isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_4isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_4isotropicsample_conditions_1
3D HCCH-TOCSYsample_4isotropicsample_conditions_1
3D 1H-13C NOESYsample_4isotropicsample_conditions_1
2D 1H-15N HSQCsample_3isotropicsample_conditions_2
2D 1H-15N HSQCsample_3isotropicsample_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

Related Database Links:

PDB
DBJ BAD69991
GB AAS82160 AEG32654 AFH38154 EIA39918 KHG65550
REF WP_008630850 WP_011174173 WP_011227752 WP_019551571 WP_022798969

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