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 5370

Title: Structure of a Beta-Alanine-Linked Polyamide Bound to a Full Helical Turn of Purine Tract DNA in the 1:1 Motif   PubMed: 12079334

Authors: Urbach, A.; Love, J.; Ross, S.; Dervan, P.

Citation: Urbach, A.; Love, J.; Ross, S.; Dervan, P.. "Structure of a Beta-Alanine-Linked Polyamide Bound to a Full Helical Turn of Purine Tract DNA in the 1:1 Motif"  J. Mol. Biol. 320, 55-71 (2002).

Assembly members:
helical turn of purine tract DNA, polymer, 13 residues, Formula weight is not available
helical turn of purine tract DNA, polymer, 13 residues, Formula weight is not available
P11, non-polymer, 914.992 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):
helical turn of purine tract DNA: CCAAAGAGAAGCG
helical turn of purine tract DNA: CGCTTCTCTTTGG

Data typeCount
1H chemical shifts272

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
15'-D(*CP*CP*AP*AP*AP*GP*AP*GP*AP*AP*GP*CP*G)-3'1
25'-D(*CP*GP*CP*TP*TP*CP*TP*CP*TP*TP*TP*GP*G)-3'2
3beta alanine linked polyamide3

Entities:

Entity 1, 5'-D(*CP*CP*AP*AP*AP*GP*AP*GP*AP*AP*GP*CP*G)-3' 13 residues - Formula weight is not available

1   DCDCDADADADGDADGDADA
2   DGDCDG

Entity 2, 5'-D(*CP*GP*CP*TP*TP*CP*TP*CP*TP*TP*TP*GP*G)-3' 13 residues - Formula weight is not available

1   DCDGDCDTDTDCDTDCDTDT
2   DTDGDG

Entity 3, beta alanine linked polyamide - C41 H56 N17 O8 - 914.992 Da.

1   P11

Samples:

sample_1: helical turn of purine tract DNA 3.67 mM; helical turn of purine tract DNA 3.67 mM; IMIDAZOLE-PYRROLE-BETA ALANINE-IMIDAZOLE-BETA ALANINE-IMIDAZOLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE 3.67 mM; sodium phosphate 10 mM; H2O 90%; D2O 10%

sample_cond_1: ionic strength: 10 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D NOESYsample_1not availablesample_cond_1

Software:

VNMR v6.1 B - collection

NMRPipe v1 - processing

NMRView v4.1.2 - data analysis

MARDIGRAS v3.2 - iterative matrix relaxation

AMBER v6.0 - structure solution

SANDER MODULE OF AMBER 6.0 PACKAGE (2000) - refinement

NMR spectrometers:

  • Varian INOVA 600 MHz

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