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 27990

Title: 1H, 13C and 15N assignments of apo ARR_CleD. ARR_CleD is an arginine rich peptide that binds the second messenger c-di-GMP   PubMed: 32611811

Deposition date: 2019-07-30 Original release date: 2020-09-21

Authors: Habazettl, Judith; Hee, Chee-Seng; Schmutz, Christoph; Schirmer, Tilman; Jenal, Urs; Grzesiek, Stephan

Citation: Hee, Chee-Seng; Habazettl, Judith; Schmutz, Christoph; Schirmer, Tilman; Jenal, Urs; Grzesiek, Stephan. "Intercepting second-messenger signaling by rationally designed peptides sequestering c-di-GMP"  Proc. Natl. Acad. Sci. U.S.A. 117, 17211-17220 (2020).

Assembly members:
protein_ARR_CleD, polymer, 36 residues, Formula weight is not available

Natural source:   Common Name: not available   Taxonomy ID: 565050   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Caulobacter crescentus

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

Entity Sequences (FASTA):
protein_ARR_CleD: SKPREWVEAVAYVGPDRRRF NSADYKGPRKRKADAS

Data sets:
Data typeCount
13C chemical shifts93
15N chemical shifts31
1H chemical shifts137

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1ARR_CleD1

Entities:

Entity 1, ARR_CleD 36 residues - Formula weight is not available

ARR_CleD is the arginine rich region of CleD, ranging from Lys140 to Ser174.

1   SERLYSPROARGGLUTRPVALGLUALAVAL
2   ALATYRVALGLYPROASPARGARGARGPHE
3   ASNSERALAASPTYRLYSGLYPROARGLYS
4   ARGLYSALAASPALASER

Samples:

sample_1: protein ARS3100, [U-99% 15N], 1 mM; sodium chloride 100 mM; sodium phosphate 20 mM; magnesium chloride 2 mM; sodium azide 0.02%

sample_2: protein ARS3100, [U-99% 13C; U-99% 15N], 0.9 mM; sodium chloride 100 mM; sodium phosphate 20 mM; magnesium chloride 2 mM; sodium azide 0.02%

sample_conditions_1: ionic strength: 0.226 M; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment, chemical shift calculation, peak picking

NMR spectrometers:

  • Bruker AMX 600 MHz
  • Bruker Avance 600 MHz

Related Database Links:

EMBL UPI000D504D6D

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