BMRB Entry 15026

Title:
NMR Structure of the IQ-modified Dodecamer CTCGGC[IQ]GCCATC
Deposition date:
2006-11-13
Original release date:
2007-10-09
Authors:
Wang, F.; DeMuro, N.; Elmquist, C.; Stover, J.; Rizzo, C.; Stone, M.
Citation:

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:

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:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

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 shifts204

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1subunit 11
2subunit 22
3subunit 33

Entities:

Entity 1, subunit 1 12 residues - Formula weight is not available

1   DCDTDCDGDGDCDGDCDCDA
2   DTDC

Entity 2, subunit 2 12 residues - Formula weight is not available

1   DGDADTDGDGDCDGDCDCDG
2   DADG

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:

NameSampleSample stateSample conditions
2D NOESYsample_1isotropicsample_conditions_1
Magnitude COSYsample_1isotropicsample_conditions_1
E-COSYsample_1isotropicsample_conditions_2
DQF-COSYsample_1isotropicsample_conditions_2
P-COSYsample_1isotropicsample_conditions_2
2D NOESYsample_2isotropicsample_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