BMRBj - BMREntryMaster

Found 1 Document (0.279 seconds)

BMRB: 34389

A quadruplex hybrid structure with lpp loop orientation and 3 syn residues

Authors

Karg, B., Weisz, K.

Assembly

DNA (25-MER)

Entity

1. DNA (25-MER) (polymer, Thiol state: not present), 25 monomers, 8113.804 Da Detail

GCGTGXXTCA GGGTGGGTGG GACGC

Formula weight

8113.804 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 88.0 %, Completeness: 55.7 %, Completeness (bb): 47.8 % Detail

Polymer type: polydeoxyribonucleotide

	Total	¹H
All	55.7 % (122 of 219)	55.7 % (122 of 219)
Suger, PO4	47.8 % (77 of 161)	47.8 % (77 of 161)
Nucleobase	77.6 % (45 of 58)	77.6 % (45 of 58)
Aromatic	84.8 % (39 of 46)	84.8 % (39 of 46)
Methyl	50.0 % (2 of 4)	50.0 % (2 of 4)

1. entity 1

GCGTGXXTCA GGGTGGGTGG GACGC

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7, Details 0.8 mM MYC4t-3s, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	MYC4t-3s	natural abundance		0.8 mM
2	potassium phosphate	natural abundance		10 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7, Details 0.8 mM MYC4t-3s, 100% D2O

#	Name	Isotope labeling	Type	Concentration
3	MYC4t-3s	natural abundance		0.8 mM
4	potassium phosphate	natural abundance		10 mM

Release date

2019-10-10

Citation

Duplex-Guided Refolding into Novel G-Quadruplex (3+1) Hybrid Conformations
Karg, B., Mohr, S., Weisz, K.
Angew. Chem Int Ed Engl. (2019), 58, 11068-11071, PubMed 31134741 , DOI 10.1002/anie.201905372 , Abstract

Experiments performed 5 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34389_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
1	6	BGM	8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE	Assigned chemical shifts
1	7	BGM	8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE	Assigned chemical shifts

Content subtype: bmr34389_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	136		96.0 (chain: 1, length: 25)
1	Chemical shift references	chem_shift_reference_1	OK	2		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 25, Sequence coverage: 96.0%
- Total number of assignments
  - ¹H chemical shifts: 136
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts

Comp_index_ID	Comp_ID
6	BGM
7	BGM

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	219	122	55.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	161	77	47.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	58	45	77.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	4	2	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	17	17	100.0

Keywords 8-Bromoguanosine, DNA, G-quadruplex, hybrid structure

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Found 1 Document (0.279 seconds)

BMRB: 34389

Sample #1

Sample #2

Experiments performed 5 experiments Detail

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Chemical shift validation 3 contents Detail