BMRB Entry 30823
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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/BMR30823
MolProbity Validation Chart
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NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Westwood, M; Ljunggren, K; Boyd, Benjamin; Becker, Jaclyn; Dwyer, Tammy; Meints, Gary. "Single-Base Lesions and Mismatches Alter the Backbone Conformational Dynamics in DNA" Biochemistry 60, 873-885 (2021).
PubMed: 33689312
Assembly members:
entity_1, polymer, 12 residues, 3607.433 Da.
Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: synthetic construct
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: XGCGAATTCGCG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 85 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
| 2 | unit_2 | 1 |
Entities:
Entity 1, unit_1 12 residues - 3607.433 Da.
| 1 | DCZ | DG | DC | DG | EDA | DA | DT | DT | DC | DG | ||||
| 2 | DC | DG |
Samples:
sample_1: DNA 1.0 ± 0.2 mM
sample_conditions_1: ionic strength: 25 mM; pH: 7.4 pD; pressure: 1 atm; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
Amber, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman - refinement, structure calculation
Felix, Accelrys Software Inc. - chemical shift assignment, peak picking
NMR spectrometers:
- Varian INOVA 400 MHz
- Varian INOVA 500 MHz