BMRBj - BMREntryMaster

	Total	¹H
All	52.4 % (97 of 185)	52.4 % (97 of 185)
Suger, PO4	50.8 % (64 of 126)	50.8 % (64 of 126)
Nucleobase	55.9 % (33 of 59)	55.9 % (33 of 59)
Aromatic	73.3 % (33 of 45)	73.3 % (33 of 45)

1. entity 1

CCGGCAGUGU G

2. entity 2

CACACGUCGG

Show sample condition

Sample #1

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.7 mM WT Tau RNA, 0.7 mM MH5, 10 mM KH2PO4/K2HPO4, 0.05 mM EDTA, 100% D2O

#	Name	Isotope labeling	Concentration
1	WT Tau RNA	natural abundance	0.7 mM
2	WT Tau RNA	natural abundance	0.7 mM
3	MH5	natural abundance	0.7 mM
4	KH2PO4/K2HPO4	natural abundance	10 mM
5	EDTA	natural abundance	0.05 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.7 mM WT Tau RNA, 0.7 mM MH5, 10 mM KH2PO4/K2HPO4, 0.05 mM EDTA, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
6	WT Tau RNA	natural abundance	0.7 mM
7	WT Tau RNA	natural abundance	0.7 mM
8	MH5	natural abundance	0.7 mM
9	KH2PO4/K2HPO4	natural abundance	10 mM
10	EDTA	natural abundance	0.05 mM

Chem. Shift Complete2

Sequence coverage: 42.9 %, Completeness: 31.9 %, Completeness (bb): 29.0 % Detail

Polymer type: polyribonucleotide

	Total	¹H
All	31.9 % (118 of 370)	31.9 % (118 of 370)
Suger, PO4	29.0 % (73 of 252)	29.0 % (73 of 252)
Nucleobase	38.1 % (45 of 118)	38.1 % (45 of 118)
Aromatic	50.0 % (45 of 90)	50.0 % (45 of 90)

1. entity 1

CCGGCAGUGU G

2. entity 2

CACACGUCGG

Show sample condition

Sample #1

Solvent system 100% D2O, Pressure 1 atm, Temperature 281.5 K, pH 6.0, Details 0.7 mM WT Tau RNA, 0.7 mM MH5, 10 mM KH2PO4/K2HPO4, 0.05 mM EDTA, 100% D2O

#	Name	Isotope labeling	Concentration
1	WT Tau RNA	natural abundance	0.7 mM
2	WT Tau RNA	natural abundance	0.7 mM
3	MH5	natural abundance	0.7 mM
4	KH2PO4/K2HPO4	natural abundance	10 mM
5	EDTA	natural abundance	0.05 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 281.5 K, pH 6.0, Details 0.7 mM WT Tau RNA, 0.7 mM MH5, 10 mM KH2PO4/K2HPO4, 0.05 mM EDTA, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
6	WT Tau RNA	natural abundance	0.7 mM
7	WT Tau RNA	natural abundance	0.7 mM
8	MH5	natural abundance	0.7 mM
9	KH2PO4/K2HPO4	natural abundance	10 mM
10	EDTA	natural abundance	0.05 mM

Chem. Shift Complete3

Sequence coverage: 76.2 %, Completeness: 25.4 %, Completeness (bb): 19.3 % Detail

Polymer type: polyribonucleotide

	Total	¹H
All	25.4 % (141 of 555)	25.4 % (141 of 555)
Suger, PO4	19.3 % (73 of 378)	19.3 % (73 of 378)
Nucleobase	38.4 % (68 of 177)	38.4 % (68 of 177)
Aromatic	40.0 % (54 of 135)	40.0 % (54 of 135)

1. entity 1

CCGGCAGUGU G

2. entity 2

CACACGUCGG

Show sample condition

Sample #1

Solvent system 100% D2O, Pressure 1 atm, Temperature 281.5 K, pH 6.0, Details 0.7 mM WT Tau RNA, 0.7 mM MH5, 10 mM KH2PO4/K2HPO4, 0.05 mM EDTA, 100% D2O

#	Name	Isotope labeling	Concentration
1	WT Tau RNA	natural abundance	0.7 mM
2	WT Tau RNA	natural abundance	0.7 mM
3	MH5	natural abundance	0.7 mM
4	KH2PO4/K2HPO4	natural abundance	10 mM
5	EDTA	natural abundance	0.05 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 281.5 K, pH 6.0, Details 0.7 mM WT Tau RNA, 0.7 mM MH5, 10 mM KH2PO4/K2HPO4, 0.05 mM EDTA, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
6	WT Tau RNA	natural abundance	0.7 mM
7	WT Tau RNA	natural abundance	0.7 mM
8	MH5	natural abundance	0.7 mM
9	KH2PO4/K2HPO4	natural abundance	10 mM
10	EDTA	natural abundance	0.05 mM

Chem. Shift Complete4

Sequence coverage: 28.6 %, Completeness: 20.0 %, Completeness (bb): 14.5 % Detail

Polymer type: polyribonucleotide

	Total	¹H
All	20.0 % (148 of 740)	20.0 % (148 of 740)
Suger, PO4	14.5 % (73 of 504)	14.5 % (73 of 504)
Nucleobase	31.8 % (75 of 236)	31.8 % (75 of 236)
Aromatic	32.8 % (59 of 180)	32.8 % (59 of 180)

1. entity 1

CCGGCAGUGU G

2. entity 2

CACACGUCGG

Show sample condition

Sample #1

Solvent system 100% D2O, Pressure 1 atm, Temperature 281.5 K, pH 6.0, Details 0.7 mM WT Tau RNA, 0.7 mM MH5, 10 mM KH2PO4/K2HPO4, 0.05 mM EDTA, 100% D2O

#	Name	Isotope labeling	Concentration
1	WT Tau RNA	natural abundance	0.7 mM
2	WT Tau RNA	natural abundance	0.7 mM
3	MH5	natural abundance	0.7 mM
4	KH2PO4/K2HPO4	natural abundance	10 mM
5	EDTA	natural abundance	0.05 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 281.5 K, pH 6.0, Details 0.7 mM WT Tau RNA, 0.7 mM MH5, 10 mM KH2PO4/K2HPO4, 0.05 mM EDTA, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
6	WT Tau RNA	natural abundance	0.7 mM
7	WT Tau RNA	natural abundance	0.7 mM
8	MH5	natural abundance	0.7 mM
9	KH2PO4/K2HPO4	natural abundance	10 mM
10	EDTA	natural abundance	0.05 mM

Release date

2020-01-16

Citation

Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing
Chen, J.L., Zhang, P., Abe, M., Aikawa, H., Zhang, L., Frank, A.J., Zembryski, T., Hubbs, C., Park, H., Withka, J., Steppan, C., Rogers, L., Cabral, S., Pettersson, M., Wager, T.T., Fountain, M.A., Rumbaugh, G., Childs-Disney, J.L., Disney, M.D.
J. Am. Chem. Soc. (2020), 142, 8706-8727, PubMed 32364710 , DOI 10.1021/jacs.0c00768 , Abstract

Entries sharing articles BMRB: 3 entries Detail

  BMRB: 30697 released on 2020-01-16
    Title Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element
  BMRB: 30699 released on 2020-01-16
    Title Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MQC
  BMRB: 30700 released on 2020-01-06
    Title Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MIP

Experiments performed 3 experiments Detail

Chemical shift validation 8 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30698_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
3	1	QSV	(2E,2'E)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1E)eth-1-yl-1-ylidene]}bis(N-methylhydrazine-1-carboximidamide)	Assigned chemical shifts

Content subtype: bmr30698_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	105	100.0 (chain: 1, length: 11), 100.0 (chain: 2, length: 10), 100.0 (chain: 3, length: 1)
2	Assigned chemical shifts	assigned_chemical_shifts_2	OK	21	45.5 (chain: 1, length: 11), 40.0 (chain: 2, length: 10)
3	Assigned chemical shifts	assigned_chemical_shifts_3	OK	23	81.8 (chain: 1, length: 11), 70.0 (chain: 2, length: 10)
4	Assigned chemical shifts	assigned_chemical_shifts_4	Warning	7	36.4 (chain: 1, length: 11), 20.0 (chain: 2, length: 10)
1	Chemical shift references	chem_shift_reference_1	OK	1	No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 11, Sequence coverage: 100.0%
  - Entity_assembly_ID: 2, Chain length: 10, Sequence coverage: 100.0%
  - Entity_assembly_ID: 3, Chain length: 1, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 105
- Completeness of assignments
  - Entity_assemble_ID: 1
  - Entity_assemble_ID: 2
  - Entity_assemble_ID: 3
- Histogram of normalized assigned chemical shifts
Saveframe: assigned_chemical_shifts_2
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 11, Sequence coverage: 45.5%
  - Entity_assembly_ID: 2, Chain length: 10, Sequence coverage: 40.0%
- Total number of assignments
  - ¹H chemical shifts: 21
- Completeness of assignments
- Histogram of normalized assigned chemical shifts
Saveframe: assigned_chemical_shifts_3
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 11, Sequence coverage: 81.8%
  - Entity_assembly_ID: 2, Chain length: 10, Sequence coverage: 70.0%
- Total number of assignments
  - ¹H chemical shifts: 23
- Completeness of assignments
  - Entity_assemble_ID: 1
  - Entity_assemble_ID: 2
- Histogram of normalized assigned chemical shifts
Saveframe: assigned_chemical_shifts_4
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 11, Sequence coverage: 36.4%
  - Entity_assembly_ID: 2, Chain length: 10, Sequence coverage: 20.0%
- Total number of assignments
  - ¹H chemical shifts: 7
- Completeness of assignments
- Histogram of normalized assigned chemical shifts

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	96	49	51.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	66	33	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	30	16	53.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	7	6	85.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	89	48	53.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	60	31	51.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	29	17	58.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	7	7	100.0

Comp_index_ID	Comp_ID
1	QSV

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	96	12	12.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	66	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	30	12	40.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	7	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	89	11	12.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	60	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	29	11	37.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	7	0	0.0

Keywords A-form tau RNA hairpin, Adenine bulge, RNA, RNA complex

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BMRB: 30698

Sample #1

Sample #2

Sample #1

Sample #2

Sample #1

Sample #2

Sample #1

Sample #2

Entries sharing articles BMRB: 3 entries Detail

Experiments performed 3 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 8 contents Detail