BMRB Entry 52916

Name: Click-release reaction regulates nucleic acid structures
Published: 2025-03-04

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52916

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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:

Click-release reaction regulates nucleic acid structures

Deposition date:

2025-02-20

Original release date:

2025-03-04

Authors:

Wang, Shiyu

Citation:

Citation: Wang, Shiyu. "Click-to-release caged nucleic acids: DNA/RNA control structures for biological and biomedical applications" Nucleic Acids Res. ., .-..

Assembly members:

Assembly members:
entity_1, polymer, 6 residues, Formula weight is not available
entity_2, polymer, 16 residues, Formula weight is not available
entity_3, polymer, 15 residues, Formula weight is not available
entity_4, polymer, 15 residues, Formula weight is not available
entity_5, polymer, 8 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: CGCXCG
entity_2: GGGTTAGGGTTAGGGT
entity_3: GGTTGGTGTGGTTGG
entity_4: GGTTGGTGTGGTTXG
entity_5: CGCXCXCG

Data sets:

assigned_chemical_shifts

Data type	Count
19F chemical shifts	8
1H chemical shifts	41

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CGCXCG	1
2	GGGTTAGGGTTAGGGT	2
3	GGTTGGTGTGGTTGG	3
4	GGTTGGTGTGGTTXG	4
5	CGCXCXCG	5

Entities:

Entity 1, CGCXCG 6 residues - Formula weight is not available

1

DC

DG

DC

X

DC

DG

Entity 2, GGGTTAGGGTTAGGGT 16 residues - Formula weight is not available

1

DG

DT

DA

DG

DT

2

DT

DA

DG

DT

Entity 3, GGTTGGTGTGGTTGG 15 residues - Formula weight is not available

1

DG

DT

DG

DT

DG

DT

DG

2

DG

DT

DG

Entity 4, GGTTGGTGTGGTTXG 15 residues - Formula weight is not available

1

DG

DT

DG

DT

DG

DT

DG

2

DG

DT

X

DG

Entity 5, CGCXCXCG 8 residues - Formula weight is not available

1

C

G

C

X

C

X

C

G

Samples:

sample_1: CGCXCG 1 mM; GGGTTAGGGTTAGGGT 1 mM; GGTTGGTGTGGTTGG 1 mM; GGTTGGTGTGGTTXG 1 mM; CGCXCXCG 1 mM; KCl 100 mM

sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
1D 1H	sample_1	isotropic	sample_conditions_1
1D 19F	sample_1	isotropic	sample_conditions_1

Software:

MestReNova - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 400 MHz