BMRB Entry 34244
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34244
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Schmidt, O.; Jurt, S.; Johannsen, S.; Karimi, A.; Sigel, R.; Luedtke, N.. "Concerted dynamics of metallo-base pairs in an A/B-form helical transition" Nat. Commun. 10, 4818-4818 (2019).
PubMed: 31645548
Assembly members:
DNA (5'-D(*CP*GP*TP*CP*TP*CP*AP*TP*GP*AP*TP*AP*CP*G)-3')_major, polymer, 14 residues, 4255.778 Da.
MERCURY (II) ION, non-polymer, 200.590 Da.
Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
DNA (5'-D(*CP*GP*TP*CP*TP*CP*AP*TP*GP*AP*TP*AP*CP*G)-3')_major: CGTCTCATGATACG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 292 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1, 1 | 1 |
| 2 | entity_1, 2 | 1 |
| 3 | entity_2, 1 | 2 |
| 4 | entity_2, 2 | 2 |
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 |
Entity 2, entity_2, 1 - Hg - 200.590 Da.
| 1 | HG |
Samples:
sample_1: polydeoxyribonucleotide, none, 0.4 mM; MERCURY (II) ION, none, 1.2 mM
sample_2: polydeoxyribonucleotide, none, 0.4 mM; MERCURY (II) ION, none, 1.2 mM
sample_conditions_1: ionic strength: 50 mM; pH: 7.75; pressure: 1 atm; temperature: 277 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_2 | isotropic | sample_conditions_2 |
| 2D 1H-1H COSY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-13C HSQC aliphatic | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-13C HSQC aromatic | sample_2 | isotropic | sample_conditions_2 |
Software:
TOPSPIN v4.0.0.b.16, Bruker Biospin - collection
XPLOR_NIH v2.46, G. Marius Clore , Guillermo Bermejo, , John Kuszewski, Charles D. Schwieters, and Nico Tjandra - structure calculation
SPARKY, Goddard - chemical shift assignment, peak picking
XPLOR-NIH v2.46, G. Marius Clore , Guillermo Bermejo, , John Kuszewski, Charles D. Schwieters, and Nico Tjandra - refinement
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 700 MHz