BMRBj - BMREntryMaster

Found 1 Document (0.453 seconds)

BMRB: 4694

NMR structure of two cyclic oligonucleotides. A monomer-dimer equlilibrium between dumbbell and quadruplex structures.

Authors

Gonzalez, C., Escaja, N., Rico, M., Pedroso, E.

Assembly

cyclic oligonucleotide d

Entity

1. cyclic oligonucleotide d (polymer, Thiol state: not present), 8 monomers, 2456.550 × 2 Da Detail

TGCTCGCT

Total weight

4913.1 Da

Max. entity weight

2456.55 Da

Entity Connection

covalent 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	covalent	sing	1:DT1:P	1:DT8:O3'
2	covalent	sing	1:DT1:P	1:DT8:O3'

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 100.0 %, Completeness: 86.4 %, Completeness (bb): 100.0 % Detail

Polymer type: polydeoxyribonucleotide

	Total	¹H
All	86.4 % (70 of 81)	86.4 % (70 of 81)
Suger, PO4	100.0 % (56 of 56)	100.0 % (56 of 56)
Nucleobase	56.0 % (14 of 25)	56.0 % (14 of 25)
Aromatic	68.8 % (11 of 16)	68.8 % (11 of 16)
Methyl	100.0 % (3 of 3)	100.0 % (3 of 3)

1. cyclic oligonucleotide

TGCTCGCT

Show sample condition

Sample

Temperature 293 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	cyclic oligonucleotide			5.0 mM
2	D2O			100 %

Chem. Shift Complete2

Sequence coverage: 87.5 %, Completeness: 48.8 %, Completeness (bb): 50.0 % Detail

Polymer type: polydeoxyribonucleotide

	Total	¹H
All	48.8 % (79 of 162)	48.8 % (79 of 162)
Suger, PO4	50.0 % (56 of 112)	50.0 % (56 of 112)
Nucleobase	46.0 % (23 of 50)	46.0 % (23 of 50)
Aromatic	50.0 % (16 of 32)	50.0 % (16 of 32)
Methyl	50.0 % (3 of 6)	50.0 % (3 of 6)

1. cyclic oligonucleotide

TGCTCGCT

Show sample condition

Sample

Temperature 278 (±1) K

#	Name	Concentration
3	cyclic oligonucleotide	5.0 mM
4	D2O	0.0 ~ 0.0 %
5	H2O	0.0 ~ 0.0 %

Release date

2000-03-19

Citation

NMR structure of two cyclic oligonucleotides. A monomer-dimer equlilibrium between dumbbell and quadruplex structures
Gonzalez, C., Escaja, N., Rico, M., Pedroso, E.
J. Am. Chem. Soc. (1998), 120, 2176-2177, PubMed , DOI:

Experiments performed 3 experiments Detail

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4694_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	True (see coodinates for details)
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)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:1:DT:P	1:8:DT:O3'	unknown	unknown	n/a
2:1:DT:P	2:8:DT:O3'	unknown	unknown	n/a

Non-standard residues

None

Content subtype: bmr4694_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	set_d2o	OK	76	100.0 (chain: 1, length: 8)
2	Assigned chemical shifts	set_h2o	OK	13	87.5 (chain: 1, length: 8)
1	Chemical shift references	chemical_shift_reference	Warning	1	No information

Assigned chemical shifts

Saveframe: set_d2o
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 8, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 76
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts
Saveframe: set_h2o
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 8, Sequence coverage: 87.5%
- Total number of assignments
  - ¹H chemical shifts: 13
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
2	DG	H21	9.25
2	DG	H22	6.27
6	DG	H21	9.25
6	DG	H22	6.27

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Found 1 Document (0.453 seconds)

BMRB: 4694

Sample

Sample

Experiments performed 3 experiments Detail

Instrument

Sample #1

Sample #2

Instrument

Sample #1

Sample #2

Instrument

Sample #1

Sample #2

Chemical shift validation 4 contents Detail