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 4646

Title: Structural NMR characterization of an 11-mer DNA Duplex Containing a 2'-deoxyaristeromycin 8-oxo-Guanine pair, nonhydrolyzable substrate analog for the DNA repair enzyme MutY   PubMed: 10949165

Authors: Smirnov, S.; Johnson, F.; De los Santos, C.

Citation: Smirnov, S.; Johnson, F.; Marumoto, R.; De los Santos, C.. "Structure of an 11-mer DNA Duplex Containing the Carbocyclic Nucleotide Analog: 2'-deoxyaristeromycin"  J. Biomol. Struct. Dyn. 17, 981-991 (2000).

Assembly members:
5'-D(*CP*AP*GP*TP*GP*(2AR)P*GP*TP*CP*AP*C)-3', polymer, 11 residues, Formula weight is not available
5'-D(*GP*TP*GP*AP*CP*(8OG)P*CP*AP*CP*TP*G)-3', polymer, 11 residues, Formula weight is not available

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*AP*GP*TP*GP*(2AR)P*GP*TP*CP*AP*C)-3': CAGTGXGTCAC
5'-D(*GP*TP*GP*AP*CP*(8OG)P*CP*AP*CP*TP*G)-3': GTGACXCACTG

Data sets:
Data typeCount
1H chemical shifts144
31P chemical shifts17

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
15'-D(*CP*AP*GP*TP*GP*(2AR)P*GP*TP*CP*AP*C)-3'1
25'-D(*GP*TP*GP*AP*CP*(8OG)P*CP*AP*CP*TP*G)-3'2

Entities:

Entity 1, 5'-D(*CP*AP*GP*TP*GP*(2AR)P*GP*TP*CP*AP*C)-3' 11 residues - Formula weight is not available

1   DCDADGDTDG2ARDGDTDCDA
2   DC

Entity 2, 5'-D(*GP*TP*GP*AP*CP*(8OG)P*CP*AP*CP*TP*G)-3' 11 residues - Formula weight is not available

1   DGDTDGDADC8OGDCDADCDT
2   DG

Samples:

sample_1: DNA 280 OD260; phosphate buffer 50 mM; H2O 90%; D2O 10%

sample_2: DNA 280 OD260; phosphate buffer 50 mM; D2O 99.6%

sample_cond_1: ionic strength: 50 mM; pH: 6.8; pressure: 1 atm; temperature: 284 K

sample_cond_2: ionic strength: 50 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D NOESYnot availablenot availablenot available
DQF-COSYnot availablenot availablenot available
TOCSYnot availablenot availablenot available

Software:

VNMR v5 - collection

FELIX v95 - data analysis

X-PLOR v3.8 - refinement

NMR spectrometers:

  • Varian UNITYplus 600 MHz

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