BMRB Entry 7392
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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/BMR7392
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Title: NMR Structure of the IQ-modified Dodecamer CTC[IQ]GGCGCCATC PubMed: 17602664
Deposition date: 2007-06-29 Original release date: 2008-02-29
Authors: Wang, F.; Elmquist, C.; Stover, J.; Rizzo, C.; Stone, M.
Citation: Wang, F.; Elmquist, C.; Stover, J.; Rizzo, C.; Stone, M.. "DNA Sequence Modulates Conformation of the Food Mutagen 2-Amino-3-methylimidazo[4,5-f]quinoline (IQ) in the Recognition Sequence of the NarI Restriction Enzyme" Biochemistry 46, 8498-8516 (2007).
Assembly members:
5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*CP*AP*TP*C)-3', polymer, 12 residues, 198.224 Da.
5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3', polymer, 12 residues, 198.224 Da.
GIQ, non-polymer, 198.224 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):
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 | 173 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Strand 1 | 1 |
| 2 | Strand 2 | 2 |
| 3 | GIQ | 3 |
Entities:
Entity 1, Strand 1 12 residues - 198.224 Da.
| 1 | DC | DT | DC | DG | DG | DC | DG | DC | DC | DA | ||||
| 2 | DT | DC |
Entity 2, Strand 2 12 residues - 198.224 Da.
| 1 | DG | DA | DT | DG | DG | DC | DG | DC | DC | DG | ||||
| 2 | DA | DG |
Entity 3, GIQ - C11 H10 N4 - 198.224 Da.
| 1 | GIQ |
Samples:
sample_1: assembly 0.7 mM; phosphate buffer 10 mM; NaCl 0.1 M; Na2EDTA 0.05 mM; D2O 100%
sample_2: assembly 0.7 mM; phosphate buffer 10 mM; NaCl 0.1 M; Na2EDTA 0.05 mM; D2O 10%; H2O 90%
sample_conditions_1: 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_1 |
| DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| P-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D NOESY | sample_2 | isotropic | sample_conditions_1 |
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 TXI 800 MHz
- Bruker QXI 600 MHz
- Bruker TXI 500 MHz