BMRB Entry 18626
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18626
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: NMR Structure of the Self-Complementary 10 mer DNA Duplex 5'-GGATATATCC-3' in Complex with Netropsin PubMed: 23355266
Deposition date: 2012-07-31 Original release date: 2013-01-22
Authors: Rettig, Michael; Germann, Markus; Wilson, W. David; Wang, Shuo
Citation: Rettig, Michael; Germann, Markus; Wang, Shuo; Wilson, W. David. "Molecular basis for sequence-dependent induced DNA bending." Chembiochem 14, 323-331 (2013).
Assembly members:
DNA_10_mer, polymer, 10 residues, 3044.042 Da.
NETROPSIN, non-polymer, 430.464 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_10_mer: GGATATATCC
- assigned_chemical_shifts
Data type | Count |
1H chemical shifts | 198 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | DNA (5'-D(*GP*GP*AP*TP*AP*TP*AP*TP*CP*C)-3')_1 | 1 |
2 | DNA (5'-D(*GP*GP*AP*TP*AP*TP*AP*TP*CP*C)-3')_2 | 1 |
3 | NETROPSIN | 2 |
Entities:
Entity 1, DNA (5'-D(*GP*GP*AP*TP*AP*TP*AP*TP*CP*C)-3')_1 10 residues - 3044.042 Da.
1 | DG | DG | DA | DT | DA | DT | DA | DT | DC | DC |
Entity 2, NETROPSIN - C18 H26 N10 O3 - 430.464 Da.
1 | NT |
Samples:
sample_1_D2O: DNA (5'-D(*GP*GP*AP*TP*AP*TP*AP*TP*CP*C)-3') 0.9 mM; NETROPSIN 0.9 mM; D2O 100%
sample_1_H2O: DNA (5'-D(*GP*GP*AP*TP*AP*TP*AP*TP*CP*C)-3') 0.9 mM; NETROPSIN 0.9 mM; D2O 10%; H2O 90%
sample_1_Pf1: DNA (5'-D(*GP*GP*AP*TP*AP*TP*AP*TP*CP*C)-3') 0.6 mM; Pf1 phage 9 mg/mL; NETROPSIN 0.6 mM; D2O 100%
sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 278 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-1H NOESY | sample_1_D2O | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_1_H2O | isotropic | sample_conditions_1 |
2D DQF-COSY | sample_1_D2O | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_1_Pf1 | anisotropic | sample_conditions_1 |
2D 1H-13C HSQC aliphatic | sample_1_Pf1 | anisotropic | sample_conditions_1 |
2D 1H-13C HSQC aromatic | sample_1_Pf1 | anisotropic | sample_conditions_1 |
Software:
AMBER v9, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - structure solution
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 500 MHz