BMRBj - BMREntryMaster

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BMRB: 4687

1H chemical shift assignments of the dimeric form of d

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, 2439.563 × 2 Da Detail

CATTCATT

Total weight

4879.126 Da

Max. entity weight

2439.563 Da

Entity Connection

covalent 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	covalent	sing	1:DC1:P	1:DT8:O3'
2	covalent	sing	1:DC1:P	1:DT8:O3'

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 100.0 %, Completeness: 90.0 %, Completeness (bb): 100.0 % Detail

Polymer type: polydeoxyribonucleotide

	Total	¹H
All	90.0 % (72 of 80)	90.0 % (72 of 80)
Suger, PO4	100.0 % (56 of 56)	100.0 % (56 of 56)
Nucleobase	66.7 % (16 of 24)	66.7 % (16 of 24)
Aromatic	75.0 % (12 of 16)	75.0 % (12 of 16)
Methyl	100.0 % (4 of 4)	100.0 % (4 of 4)

1. cyclic oligonucleotide

CATTCATT

Show sample condition

Sample

Temperature 293 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	cyclic oligonucleotide			20.0 mM
2	D2O			0.0 ~ 0.0 %

Chem. Shift Complete2

Sequence coverage: 50.0 %, Completeness: 47.5 %, Completeness (bb): 50.0 % Detail

Polymer type: polydeoxyribonucleotide

	Total	¹H
All	47.5 % (76 of 160)	47.5 % (76 of 160)
Suger, PO4	50.0 % (56 of 112)	50.0 % (56 of 112)
Nucleobase	41.7 % (20 of 48)	41.7 % (20 of 48)
Aromatic	50.0 % (16 of 32)	50.0 % (16 of 32)
Methyl	50.0 % (4 of 8)	50.0 % (4 of 8)

1. cyclic oligonucleotide

CATTCATT

Show sample condition

Sample

Temperature 278 (±1) K

#	Name	Concentration
3	cyclic oligonucleotide	20.0 mM
4	H2O	0.0 ~ 0.0 %
5	D2O	0.0 ~ 0.0 %

Release date

2000-03-14

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	bmr4687_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	OK

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:DC:P	1:8:DT:O3'	unknown	unknown	n/a
2:1:DC:P	2:8:DT:O3'	unknown	unknown	n/a

Non-standard residues

None

Content subtype: bmr4687_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	set_d2o	OK	80	100.0 (chain: 1, length: 8)
2	Assigned chemical shifts	set_h2o	OK	8	75.0 (chain: 1, length: 8)
1	Chemical shift references	chemical_shift_reference	OK	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: 80
- 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: 75.0%
- Total number of assignments
  - ¹H chemical shifts: 8
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
2	DA	H61	8.03
2	DA	H62	7.07
6	DA	H61	8.03
6	DA	H62	7.07

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Found 1 Document (0.45 seconds)

BMRB: 4687

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