BMRB Entry 18050
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PDB ID: 2llj
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18050
MolProbity Validation Chart
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NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Jourdan, Muriel; Granzhan, Anton; Guillot, Regis; Dumy, Pascal; Teulade-Fichou, Marie-Paule. "Double threading through DNA: NMR structural study of a bis-naphthalene macrocycle bound to a thymine-thymine mismatch." Nucleic Acids Res. 40, 5115-5128 (2012).
PubMed: 22362757
Assembly members:
DNA_1, polymer, 11 residues, 3365.224 Da.
DNA_2, polymer, 11 residues, 3334.213 Da.
LLJ, non-polymer, 516.717 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
DNA_1: CGTCGTAGTGC
DNA_2: GCACTTCGACG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 179 |
| 31P chemical shifts | 9 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DNA_1 | 1 |
| 2 | DNA_2 | 2 |
| 3 | bis-naphthalene | 3 |
Entities:
Entity 1, DNA_1 11 residues - 3365.224 Da.
| 1 | DC | DG | DT | DC | DG | DT | DA | DG | DT | DG | ||||
| 2 | DC |
Entity 2, DNA_2 11 residues - 3334.213 Da.
| 1 | DG | DC | DA | DC | DT | DT | DC | DG | DA | DC | ||||
| 2 | DG |
Entity 3, bis-naphthalene - C32 H44 N4 O2 - 516.717 Da.
| 1 | LLJ |