BMRB Entry 27990

Name: 1H, 13C and 15N assignments of apo ARR_CleD. ARR_CleD is an arginine rich peptide that binds the second messenger c-di-GMP
Published: 2020-09-21

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PDB ID: 6sft
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27990
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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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

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:

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).
PubMed: 32611811

Assembly members:

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

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a-His-SUMO-ARR_CleD

Entity Sequences (FASTA):

Entity Sequences (FASTA):
protein_ARR_CleD: SKPREWVEAVAYVGPDRRRF NSADYKGPRKRKADAS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	93
15N chemical shifts	31
1H chemical shifts	137

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ARR_CleD	1

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

SER

LYS

PRO

ARG

GLU

TRP

VAL

GLU

ALA

VAL

2

ALA

TYR

VAL

GLY

PRO

ASP

ARG

PHE

3

ASN

SER

ALA

ASP

TYR

LYS

GLY

PRO

ARG

LYS

4

ARG

LYS

ALA

ASP

ALA

SER

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:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_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