BMRB Entry 19886

Name: MINOR GROOVE RECOGNITION OF DNA BY THIAZOTROPSIN ANALOGUES
Published: 2014-09-15

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PDB ID: 2mnb
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19886
MolProbity Validation Chart

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

MINOR GROOVE RECOGNITION OF DNA BY THIAZOTROPSIN ANALOGUES

Deposition date:

2014-04-02

Original release date:

2014-09-15

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.. "Recognition of the DNA minor groove by thiazotropsin analogues" Chembiochem 15, 1978-1990 (2014).
PubMed: 25045155

Assembly members:

Assembly members:
5'-D(*CP*GP*AP*CP*GP*CP*GP*TP*CP*G)-3', polymer, 10 residues, 3046.017 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*GP*CP*GP*TP*CP*G)-3': CGACGCGTCG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	98

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	5'-D(CPGPAPCPGPCPGPTPCPG)-3'	1

Entities:

Entity 1, 5'-D(*CP*GP*AP*CP*GP*CP*GP*TP*CP*G)-3' 10 residues - 3046.017 Da.

1

DC

DG

DA

DC

DG

DC

DG

DT

DC

DG

Samples:

sample_1: 5'-D(*CP*GP*AP*CP*GP*CP*GP*TP*CP*G)-3' 2 mM; H2O 90%; D2O, [U-100% 2H], 10%

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

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H COSY	sample_1	isotropic	sample_conditions_1

Software:

AMBER, Bruker Biospin, Goddard - chemical shift assignment, collection, refinement

NMR spectrometers:

Bruker Avance 600 MHz