BMRB Entry 34398

Name: Concerted dynamics of metallo-base pairs in an A/B-form helical transition (apo species)
Published: 2019-10-21

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PDB ID: 6rls
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34398
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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:

Concerted dynamics of metallo-base pairs in an A/B-form helical transition (apo species)

Deposition date:

2019-05-02

Original release date:

2019-10-21

Authors:

Schmidt, O.; Jurt, S.; Johannsen, S.; Karimi, A.; Sigel, R.; Luedtke, N.

Citation:

Citation: Schmidt, Olivia; Jurt, Simon; Johannsen, Silke; Karimi, Ashkan; Sigel, Roland; Luedtke, Nathan. "Concerted dynamics of metallo-base pairs in an A/B-form helical transition" Nat. Commun. 10, 4818-4818 (2019).
PubMed: 31645548

Assembly members:

Assembly members:
entity_1, polymer, 14 residues, 4255.778 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: CGTCTCATGATACG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	304

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1, 1	1
2	entity_1, 2	1

Entities:

Entity 1, entity_1, 1 14 residues - 4255.778 Da.

1

DC

DG

DT

DC

DT

DC

DA

DT

DG

DA

2

DT

DA

DC

DG

Samples:

sample_1: entity_1 0.3 mM; NaClO4 50 mM

sample_2: entity_1 0.3 mM; NaClO4 50 mM

sample_conditions_1: ionic strength: 50 mM; pH: 7.75; pressure: 1 atm; temperature: 278 K

sample_conditions_2: ionic strength: 50 mM; pH: 7.35 pD; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_2
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_2

Software:

TopSpin v4.0.3, Bruker Biospin - collection

Xplor-NIH v2.46, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

Sparky, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AVANCE 700 MHz