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_struct_conn\.details'
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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
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: 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).
PubMed: 17602664
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
Data type | Count |
1H chemical shifts | 173 |
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | Strand 1 | 1 |
2 | Strand 2 | 2 |
3 | GIQ | 3 |
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 |
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
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 |
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