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Found 1 Document (0.279 seconds)

BMRB: 50625

A (3+1) hybrid G-quadruplex containing right loop progression

Authors

Assembly

Solution structure of a (3+1) hybrid G-quadruplex containing right loop progression

Entity

1. Solution structure of a (3+1) hybrid G-quadruplex containing right loop progression, entity 1 (polymer, Thiol state: not present), 15 monomers, 4824.051 Da Detail

GGGTTAGGGT TAGGG

2. Solution structure of a (3+1) hybrid G-quadruplex containing right loop progression, entity 2 (polymer, Thiol state: not present), 6 monomers, 1927.225 Da Detail

TTAGGG

Total weight

6751.276 Da

Max. entity weight

4824.051 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 100.0 %, Completeness: 84.6 %, Completeness (bb): 83.7 % Detail

Polymer type: polydeoxyribonucleotide

	Total	¹H
All	84.6 % (165 of 195)	84.6 % (165 of 195)
Suger, PO4	83.7 % (123 of 147)	83.7 % (123 of 147)
Nucleobase	87.5 % (42 of 48)	87.5 % (42 of 48)
Aromatic	85.7 % (36 of 42)	85.7 % (36 of 42)
Methyl	100.0 % (6 of 6)	100.0 % (6 of 6)

1. entity 1

GGGTTAGGGT TAGGG

2. entity 2

TTAGGG

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	htel3DT	natural abundance		4 mM
2	P3	natural abundance		4.2 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
3	htel3DT	natural abundance		4 mM
4	P3	natural abundance		4.2 mM

Chem. Shift Complete2

Sequence coverage: 0.0 %, Completeness: 42.3 %, Completeness (bb): 41.8 % Detail

Polymer type: polydeoxyribonucleotide

	Total	¹H
All	42.3 % (165 of 390)	42.3 % (165 of 390)
Suger, PO4	41.8 % (123 of 294)	41.8 % (123 of 294)
Nucleobase	43.8 % (42 of 96)	43.8 % (42 of 96)
Aromatic	42.9 % (36 of 84)	42.9 % (36 of 84)
Methyl	50.0 % (6 of 12)	50.0 % (6 of 12)

1. entity 1

GGGTTAGGGT TAGGG

2. entity 2

TTAGGG

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	htel3DT	natural abundance		4 mM
2	P3	natural abundance		4.2 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
3	htel3DT	natural abundance		4 mM
4	P3	natural abundance		4.2 mM

Release date

2020-12-08

Citation

Two coexisting pseudo-mirror heteromolecular telomeric G-quadruplexes in opposite loop progressions differentially recognized by a low equivalent of Thioflavin T
Fu, W., Jing, H., Xu, X., Xu, S., Wang, T., Hu, W., Li, H., Zhang, N.
Nucleic Acids Res. (2021), 49, 10717-10734, PubMed 34500466 , DOI 10.1093/nar/gkab755 , Abstract

Related entities 1. Solution structure of a (3+1) hybrid G-quadruplex containing right loop progression, entity 1, : 1 entities Detail

Experiments performed 4 experiments Detail

Chemical shift validation 5 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr50625_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

None

Content subtype: bmr50625_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	201	100.0 (chain: 1, length: 15), 100.0 (chain: 2, length: 6)
2	Assigned chemical shifts	assigned_chemical_shifts_2	Warning	36	100.0 (chain: 1, length: 15), 100.0 (chain: 2, length: 6)
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: 15, Sequence coverage: 100.0%
- Entity_assembly_ID: 2, Chain length: 6, Sequence coverage: 100.0%
Total number of assignments
- ¹H chemical shifts: 201

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
1	DG	H21	10.44
1	DG	H22	6.33
2	DG	H21	10.03
2	DG	H22	6.67
3	DG	H21	8.74
3	DG	H22	7.14
7	DG	H21	9.01
7	DG	H22	6.68
8	DG	H21	9.39
8	DG	H22	6.88
9	DG	H21	9.74
9	DG	H22	6.68
13	DG	H21	8.19
13	DG	H22	7.68
14	DG	H21	9.23
14	DG	H22	5.86
15	DG	H21	9.25
15	DG	H22	6.39

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	139	118	84.9

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	105	88	83.8

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	34	30	88.2

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	4	4	100.0

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	13	13	100.0

Entity_assemble_ID: 2

Histogram of normalized assigned chemical shifts

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
4	DG	H21	9.2
4	DG	H22	6.83
5	DG	H21	9.52
5	DG	H22	6.42
6	DG	H21	8.41
6	DG	H22	7.75

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	56	47	83.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	42	35	83.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	14	12	85.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	2	2	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	5	5	100.0

Saveframe: assigned_chemical_shifts_2

Status: Warning
Sequence coverage of experimental data
- Entity_assembly_ID: 1, Chain length: 15, Sequence coverage: 100.0%
- Entity_assembly_ID: 2, Chain length: 6, Sequence coverage: 100.0%
Total number of assignments
- ¹³C chemical shifts: 24
- ¹⁵N chemical shifts: 12

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
1	DG	C8	142.03
1	DG	N1	144.35
2	DG	C8	139.94
2	DG	N1	144.8
3	DG	C8	138.36
3	DG	N1	144.44
4	DT	C6	139.13
5	DT	C6	139.0
6	DA	C2	153.89
6	DA	C8	141.66
7	DG	C8	141.53
7	DG	N1	143.98
8	DG	C8	142.14
8	DG	N1	142.53
9	DG	C8	137.83
9	DG	N1	143.42
10	DT	C6	140.3
11	DT	C6	138.09
12	DA	C2	155.92
12	DA	C8	141.06
13	DG	C8	142.07
13	DG	N1	144.27
14	DG	C8	137.02
14	DG	N1	143.22
15	DG	C8	139.22
15	DG	N1	144.37

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)

Entity_assemble_ID: 2

Histogram of normalized assigned chemical shifts

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Found 1 Document (0.279 seconds)

BMRB: 50625

Sample #1

Sample #2

Sample #1

Sample #2

Related entities 1. Solution structure of a (3+1) hybrid G-quadruplex containing right loop progression, entity 1, : 1 entities Detail

Experiments performed 4 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 5 contents Detail

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
1	DT	C6	140.01
2	DT	C6	138.4
3	DA	C2	154.6
3	DA	C8	140.32
4	DG	C8	142.14
4	DG	N1	144.15
5	DG	C8	138.51
5	DG	N1	144.08
6	DG	C8	139.04
6	DG	N1	145.59