BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 17094

Title: NMR and molecular modeling studies of the interaction of berenil and pentamidine with d(CGCAAATTTGCG)2   PubMed: 8504811

Authors: Jenkins, Terence; Lane, Andrew; Neidle, Stephen; Brown, David

Citation: Jenkins, Terence; Lane, Andrew; Neidle, Stephen; Brown, David. "NMR and molecular modeling studies of the interaction of berenil and pentamidine with d(CGCAAATTTGCG)2"  Eur. J. Biochem. 213, 1175-1184 (1993).

Assembly members:
DNA_1, polymer, 12 residues, 281.316 Da.
BRN, non-polymer, 281.316 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):
DNA_1: CGCAAATTTGCG

Data sets:
Data typeCount
kinetic rates1

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1DNA 11
2berenil2

Entities:

Entity 1, DNA 1 12 residues - 281.316 Da.

1   DCDGDCDADADADTDTDTDG
2   DCDG

Entity 2, berenil - C14 H15 N7 - 281.316 Da.

1   BRN

Samples:

sample_1: DNA 1 1.0 mM; berenil0 – 1200 uM; potassium chloride 100 mM; sodium phosphate 10 mM; EDTA 0.2 mM

sample_conditions_1: pD: 7.0; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

NUCFIT, (Lane, A.N. 1990) - NOE processing

X-PLOR v2.1, Brunger - data analysis

AMPAC, (Quantum Chemistry Program Exchange, QCPE-506) - data analysis

NMR spectrometers:

  • Bruker AM 400 MHz
  • Varian Unity 600 MHz

Related Database Links: