BMRB Entry 19890

Title:
MINOR GROOVE RECOGNITION OF DNA BY THIAZOTROPSIN ANALOGUES
Deposition date:
2014-04-03
Original release date:
2014-07-28
Authors:
Alniss, H.; Salvia, M.; Sadikov, M.; Golovchenko, I.; Anthony, N.; Khalaf, A.; Mackay, S.; Suckling, C.; Parkinson, J.
Citation:

Citation: Alniss, H.; Salvia, M.; Sadikov, M.; Golovchenko, I.; Anthony, N.; Khalaf, A.; Mackay, S.; Suckling, C.; Parkinson, J.. "Minor Groove Recognition of DNA by Thiazotropsin Analogues"  To be Published ., .-..

Assembly members:

Assembly members:
5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3', polymer, 10 residues, 3045.029 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: obtained from a vendor

Entity Sequences (FASTA):

Entity Sequences (FASTA):
5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3': CGACTAGTCG

Data sets:
Data typeCount
1H chemical shifts82

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
15'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3'_11
25'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3'_21

Entities:

Entity 1, 5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3'_1 10 residues - 3045.029 Da.

1   DCDGDADCDTDADGDTDCDG

Samples:

sample_1: 5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3' 2 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.05 M; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

SYBYL, Tripos - geometry optimization, structure building, structure solution

MARDIGRAS, Tripos - NOE to distance restraint conversion

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - data analysis, geometry optimization, structure solution

NMR spectrometers:

  • Bruker Avance 600 MHz