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BMRB Entry 7392 BMRB - Biological Magnetic Resonance Bank
BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 7392

Title: NMR Structure of the IQ-modified Dodecamer CTC[IQ]GGCGCCATC   PubMed: 17602664

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

Data sets:
Data typeCount
1H chemical shifts173

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Strand 11
2Strand 22
3GIQ3

Entities:

Entity 1, Strand 1 12 residues - 198.224 Da.

1   DCDTDCDGDGDCDGDCDCDA
2   DTDC

Entity 2, Strand 2 12 residues - 198.224 Da.

1   DGDADTDGDGDCDGDCDCDG
2   DADG

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:

NameSampleSample stateSample conditions
2D NOESYsample_1isotropicsample_conditions_1
Magnitude COSYsample_1isotropicsample_conditions_1
E-COSYsample_1isotropicsample_conditions_1
DQF-COSYsample_1isotropicsample_conditions_1
P-COSYsample_1isotropicsample_conditions_1
2D NOESYsample_2isotropicsample_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

Related Database Links: