BMRB Entry 15026
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15026
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Wang, F.; DeMuro, N.; Elmquist, C.; Stover, J.; Rizzo, C.; Stone, M.. "Base-displaced intercalated structure of the food mutagen 2-amino-3-methylimidazo[4,5-f]quinoline in the recognition sequence of the NarI restriction enzyme, a hotspot for -2 bp deletions." J. Am. Chem. Soc. 128, 10085-10095 (2006).
PubMed: 16881637
Assembly members:
5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*CP*AP*TP*C)-3', polymer, 12 residues, Formula weight is not available
5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3', polymer, 12 residues, Formula weight is not available
GIQ, non-polymer, 198.224 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*CP*AP*TP*C)-3': CTCGGCGCCATC
5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3': GATGGCGCCGAG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 204 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | subunit 1 | 1 |
| 2 | subunit 2 | 2 |
| 3 | subunit 3 | 3 |
Entities:
Entity 1, subunit 1 12 residues - Formula weight is not available
| 1 | DC | DT | DC | DG | DG | DC | DG | DC | DC | DA | ||||
| 2 | DT | DC |
Entity 2, subunit 2 12 residues - Formula weight is not available
| 1 | DG | DA | DT | DG | DG | DC | DG | DC | DC | DG | ||||
| 2 | DA | DG |
Entity 3, subunit 3 - C11 H10 N4 - 198.224 Da.
| 1 | GIQ |
Samples:
sample_1: subunit 1 0.7 mM; subunit 2 0.7 mM; subunit 3 0.7 mM; potassium phosphate 10 mM; sodium chloride 100 mM; D2O 99.996%
sample_2: subunit 1 0.7 mM; subunit 2 0.7 mM; subunit 3 0.7 mM; D2O 10%; potassium phosphate 10 mM; sodium chloride 100 mM
sample_conditions_1: ionic strength: 0.1 M; pH: 7.0; pressure: 1 atm; temperature: 298 K
sample_conditions_2: ionic strength: 0.1 M; pH: 7.0; pressure: 1 atm; temperature: 298 K
sample_conditions_3: ionic strength: 0.1 M; pH: 7.0; pressure: 1 atm; temperature: 278 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | isotropic | sample_conditions_1 |
| Magnitude COSY | sample_1 | isotropic | sample_conditions_1 |
| E-COSY | sample_1 | isotropic | sample_conditions_2 |
| DQF-COSY | sample_1 | isotropic | sample_conditions_2 |
| P-COSY | sample_1 | isotropic | sample_conditions_2 |
| 2D NOESY | sample_2 | isotropic | sample_conditions_3 |
Software:
X-PLOR v3.1, Brunger - refinement
FELIX v95.0, Biosym/MSI - processing
MARDIGRAS v5.2, Borgias - iterative matrix relaxation
CORMA v5.2, Keepers - iterative matrix relaxation
NMR spectrometers:
- Bruker CPTCI 800 MHz
- Bruker QXI 600 MHz
- Bruker TXI 500 MHz