BMRB Entry 51627

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51627

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Title:
Backbone 1H, 13C, and 15N Chemical Shift Assignments for the C-terminal Rec domain (apo state) of the hybrid Histidine Kinase CckA (CckARec) from Caulobacter crescentus.
Deposition date:
2022-09-15
Original release date:
2022-09-21
Authors:
Bruderlin, Mitchell; Bohm, Raphael; Hiller, Sebastian; Schirmer, Tilman; Dubey, Badri
Citation:

Citation: Bruderlin, Mitchell; Bohm, Raphael; Hiller, Sebastian; Schirmer, Tilman; Dubey, Badri. "Structural features discriminating hybrid histidine kinase Rec domains from their homologs in response regulators"  Nat. Commun. ., .-..

Assembly members:

Assembly members:
entity_1, polymer, 135 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Caulobacter vibrioides   Taxonomy ID: 155892   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Caulobacter vibrioides

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MGHHHHHHGSGSGAGRILFV EDEDAVRSVAARLLRARGYE VLEAADGEEALIIAEENAGT IDLLISDVIMPGIDGPTLLK KARGYLGTAPVMFISGYAEA EFSDLLEGETGVTFLPKPID IKTLAERVKQQLQAA

Data sets:
Data typeCount
13C chemical shifts222
15N chemical shifts113
1H chemical shifts113

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CckA-Rec1

Entities:

Entity 1, CckA-Rec 135 residues - Formula weight is not available

1   METGLYHISHISHISHISHISHISGLYSER
2   GLYSERGLYALAGLYARGILELEUPHEVAL
3   GLUASPGLUASPALAVALARGSERVALALA
4   ALAARGLEULEUARGALAARGGLYTYRGLU
5   VALLEUGLUALAALAASPGLYGLUGLUALA
6   LEUILEILEALAGLUGLUASNALAGLYTHR
7   ILEASPLEULEUILESERASPVALILEMET
8   PROGLYILEASPGLYPROTHRLEULEULYS
9   LYSALAARGGLYTYRLEUGLYTHRALAPRO
10   VALMETPHEILESERGLYTYRALAGLUALA
11   GLUPHESERASPLEULEUGLUGLYGLUTHR
12   GLYVALTHRPHELEUPROLYSPROILEASP
13   ILELYSTHRLEUALAGLUARGVALLYSGLN
14   GLNLEUGLNALAALA

Samples:

sample_1: CckA-Rec, [U-100% 13C; U-100% 15N], 0.8 mM

sample_conditions_1: pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1D 1Hsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1

Software:

CARA v1.9.2 - chemical shift assignment

TOPSPIN v3.2 - data collection

NMR spectrometers:

  • Bruker AVANCE III 700 MHz

Related Database Links:

UNP Q9X688
AlphaFold Q7DB16

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks