BMRB Entry 4400

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4400

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Structure and Mechanism of Formation of the H-y5 ismomer of an Intramolecular DNA Triple Helix.

Deposition date: 1999-09-11 Original release date: 1999-10-26

Authors: van Dongen, M.; Doreleijers, J.; van der Marel, G.; van Boom, J.; Hilbers, C.; Wijmenga, S.

Citation: van Dongen, M.; Doreleijers, J.; van der Marel, G.; van Boom, J.; Hilbers, C.; Wijmenga, S.. "Structure and Mechanism of Formation of the H-y5 isomer of an intramolecular DNA triple helix" Nat. Struct. Biol. 6, 854-859 (1999).

Assembly members:
H-y5 Triple Helix, polymer, 30 residues, Formula weight is not available

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: chemically_synthesized

Entity Sequences (FASTA):
H-y5 Triple Helix: TCTTCCTTTTCCTTCTCCCG AGAAGGTTTT

Data sets:

assigned_chemical_shifts
- chem_shift_set_1

Data type	Count
1H chemical shifts	247

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	h-y5	1

Entities:

Entity 1, h-y5 30 residues - Formula weight is not available

1	DT	DC	DT	DT	DC	DC	DT	DT	DT	DT
2	DC	DC	DT	DT	DC	DT	DC	DC	DC	DG
3	DA	DG	DA	DA	DG	DG	DT	DT	DT	DT

Samples:

sample_1: H-y5 Triple Helix2.0 – 4.0 mM

sample_cond_1: ionic strength: 100 mM; pH*: 4.5; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
NOESY	sample_1	not available	sample_cond_1
PE-COSY	sample_1	not available	sample_cond_1
TOCSY	sample_1	not available	sample_cond_1
31P-1H	sample_1	not available	sample_cond_1
TOCSY-NOESY	sample_1	not available	sample_cond_1

Software:

XEASY - assignment book keeping and cross peak integration

NMR spectrometers:

Bruker AMX 600 MHz
Varian Unitry-Plus 750 MHz
Varian Unitry-Plus 500 MHz

1	DT	DC	DT	DT	DC	DC	DT	DT	DT	DT
2	DC	DC	DT	DT	DC	DT	DC	DC	DC	DG
3	DA	DG	DA	DA	DG	DG	DT	DT	DT	DT

1	DT	DC	DT	DT	DC	DC	DT	DT	DT	DT
2	DC	DC	DT	DT	DC	DT	DC	DC	DC	DG
3	DA	DG	DA	DA	DG	DG	DT	DT	DT	DT

1	DT	DC	DT	DT	DC	DC	DT	DT	DT	DT
2	DC	DC	DT	DT	DC	DT	DC	DC	DC	DG
3	DA	DG	DA	DA	DG	DG	DT	DT	DT	DT