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Found 1 Document (0.213 seconds)

BMRB: 27173

1H, 13C, and 15N resonance assignments of a 22mer G-quadruplex forming within KRAS oncogene promoter region at physiological temperature

Authors

Marquevielle, J., Kumar M.V, V., Mergny, J., Salgado, G.

Assembly

KRAS promoter region

Entity

1. KRAS promoter region (polymer, Thiol state: not present), 22 monomers, 7049.484 Da Detail

AGGGCGGTGT GGGAATAGGG AA

Formula weight

7049.484 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 97.0 %, Completeness (bb): 99.4 % Detail

Polymer type: polydeoxyribonucleotide

	Total	¹H
All	97.0 % (197 of 203)	97.0 % (197 of 203)
Suger, PO4	99.4 % (153 of 154)	99.4 % (153 of 154)
Nucleobase	89.8 % (44 of 49)	89.8 % (44 of 49)
Aromatic	93.2 % (41 of 44)	93.2 % (41 of 44)
Methyl	100.0 % (3 of 3)	100.0 % (3 of 3)

1. KRAS22RT

AGGGCGGTGT GGGAATAGGG AA

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.66

#	Name	Isotope labeling	Type	Concentration
1	KRAS22RT	natural abundance		2.5 mM

Release date

2017-07-11

Citation

¹H, ¹³C, and ¹⁵N chemical shift assignments of a G-quadruplex forming sequence within the KRAS proto-oncogene promoter region
Marquevielle, J., Kumar M.V, V., Mergny, J., Salgado, G.
Biomol. NMR Assign. (2017), 12, 123-127, PubMed 29189986 , DOI 10.1007/s12104-017-9793-0 , Abstract

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr27173_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: bmr27173_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	351		100.0 (chain: 1, length: 22)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1

Status: Warning
Sequence coverage of experimental data
- Entity_assembly_ID: 1, Chain length: 22, Sequence coverage: 100.0%
Total number of assignments
- ¹H chemical shifts: 203
- ¹³C chemical shifts: 136
- 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	DA	C1'	84.61
1	DA	C2	152.898
1	DA	C2'	37.771
1	DA	C3'	74.651
1	DA	C4'	85.102
1	DA	C5'	61.887
1	DA	C8	139.724
2	DG	C1'	82.992
2	DG	C2'	37.497
2	DG	C3'	77.143
2	DG	C4'	85.222
2	DG	C5'	66.074
2	DG	C8	135.49
2	DG	N1	143.176
3	DG	C1'	82.056
3	DG	C2'	40.104
3	DG	C3'	75.958
3	DG	C4'	84.842
3	DG	C5'	65.896
3	DG	C8	134.384
3	DG	N1	143.428
4	DG	C1'	80.876
4	DG	C2'	39.843
4	DG	C3'	78.524
4	DG	C5'	64.941
4	DG	C8	135.342
4	DG	N1	143.37
5	DC	C1'	86.27
5	DC	C2'	39.809
5	DC	C3'	75.941
5	DC	C4'	84.882
5	DC	C5	96.874
5	DC	C5'	66.554
5	DC	C6	141.604
6	DG	C1'	84.855
6	DG	C2'	41.698
6	DG	C3'	77.892
6	DG	C4'	85.644
6	DG	C5'	65.66
6	DG	C8	135.451
6	DG	N1	143.274
7	DG	C1'	83.204
7	DG	C2'	40.257
7	DG	C3'	78.063
7	DG	C5'	65.16
7	DG	C8	136.13
7	DG	N1	142.892
8	DT	C1'	83.76
8	DT	C2'	37.222
8	DT	C4'	83.428
8	DT	C5'	64.709
8	DT	C6	136.982
8	DT	C7	11.968
9	DG	C1'	83.701
9	DG	C2'	40.291
9	DG	C3'	77.354
9	DG	C5'	66.584
9	DG	C8	135.522
9	DG	N1	143.314
10	DT	C1'	85.556
10	DT	C2'	38.694
10	DT	C3'	73.836
10	DT	C4'	84.788
10	DT	C5'	65.826
10	DT	C6	137.698
10	DT	C7	11.962
11	DG	C1'	85.328
11	DG	C2'	41.054
11	DG	C3'	75.684
11	DG	C4'	84.659
11	DG	C5'	66.569
11	DG	C8	135.837
11	DG	N1	143.383
12	DG	C1'	81.831
12	DG	C2'	41.052
12	DG	C3'	75.529
12	DG	C4'	75.274
12	DG	C5'	66.771
12	DG	C8	136.169
12	DG	N1	143.092
13	DG	C1'	82.739
13	DG	C2'	37.959
13	DG	C3'	76.864
13	DG	C4'	85.063
13	DG	C5'	65.447
13	DG	C8	135.54
13	DG	N1	142.742
14	DA	C1'	83.252
14	DA	C2	153.077
14	DA	C2'	37.24
14	DA	C3'	75.953
14	DA	C4'	84.653
14	DA	C5'	66.553
14	DA	C8	139.541
15	DA	C1'	87.218
15	DA	C2	152.75
15	DA	C2'	38.689
15	DA	C3'	75.944
15	DA	C4'	84.461
15	DA	C5'	65.485
15	DA	C8	140.012
16	DT	C1'	85.079
16	DT	C2'	37.729
16	DT	C5'	65.781
16	DT	C6	136.722
16	DT	C7	11.972
17	DA	C1'	82.763
17	DA	C2	152.404
17	DA	C2'	37.932
17	DA	C3'	76.663
17	DA	C4'	85.329
17	DA	C5'	65.602
17	DA	C8	139.368
18	DG	C1'	82.749
18	DG	C2'	38.928
18	DG	C3'	76.43
18	DG	C4'	84.872
18	DG	C5'	66.101
18	DG	C8	135.887
18	DG	N1	143.433
19	DG	C1'	82.555
19	DG	C2'	38.914
19	DG	C3'	76.655
19	DG	C4'	84.668
19	DG	C5'	70.051
19	DG	C8	135.25
19	DG	N1	143.057
20	DG	C1'	82.27
20	DG	C2'	37.266
20	DG	C3'	76.633
20	DG	C4'	84.426
20	DG	C5'	66.074
20	DG	C8	134.631
20	DG	N1	143.273
21	DA	C1'	82.52
21	DA	C2	152.471
21	DA	C2'	37.266
21	DA	C3'	76.633
21	DA	C4'	84.426
21	DA	C5'	66.074
21	DA	C8	138.509
22	DA	C1'	82.03
22	DA	C2	152.458
22	DA	C2'	39.582
22	DA	C3'	76.202
22	DA	C4'	84.62
22	DA	C5'	64.66
22	DA	C8	139.073

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	203	197	97.0

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	154	153	99.4

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	49	44	89.8

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	3	3	100.0
¹³C chemical shifts	3	3	100.0

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	24	24	100.0

Histogram of normalized assigned chemical shifts

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Found 1 Document (0.213 seconds)

BMRB: 27173

Sample

Experiments performed 3 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail