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BMRB: 27053

NMR chemical shift assignments of a 22mer G-quadruplex formed within the KRAS proto-oncogene promoter region

Authors

Salgado, G., Marquevielle, J., Kerkour, A., Mergny, J.

Assembly

KRAS oncogene promoter region

Entity

1. KRAS oncogene 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, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 92.6 %, Completeness (bb): 96.8 % Detail

Polymer type: polydeoxyribonucleotide

	Total	¹H
All	92.6 % (188 of 203)	92.6 % (188 of 203)
Suger, PO4	96.8 % (149 of 154)	96.8 % (149 of 154)
Nucleobase	79.6 % (39 of 49)	79.6 % (39 of 49)
Aromatic	81.8 % (36 of 44)	81.8 % (36 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 293 K, pH 6.65

#	Name	Isotope labeling	Concentration
1	KRAS22RT	natural abundance	2.5 mM
2	KCl	natural abundance	90 mM
3	KPi	natural abundance	20 mM

Release date

2017-03-22

Citation

High-resolution three-dimensional NMR structure of the KRAS proto-oncogene promoter reveals key features of a G-quadruplex involved in transcriptional regulation
Kerkour, A., Marquevielle, J., Ivashchenko, S., Yatsunyk, L.A., Mergny, J.L., Salgado, G.F.
J. Biol. Chem. (2017), 292, 8082-8091, PubMed 28330874 , DOI 10.1074/jbc.M117.781906 , Abstract

Experiments performed 1 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr27053_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: bmr27053_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	KRAS22RT_chemicalshifts	Warning	218		100.0 (chain: 1, length: 22)
1	Chemical shift references	KRAS22RT_293K	OK	1		No information

Assigned chemical shifts

Saveframe: KRAS22RT_chemicalshifts

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: 218

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
2	DG	H21	9.383
2	DG	H22	6.545
3	DG	H21	9.399
3	DG	H22	6.547
4	DG	H21	8.852
4	DG	H22	6.599
6	DG	H21	6.325
6	DG	H22	9.405
7	DG	H21	9.212
7	DG	H22	6.766
9	DG	H21	8.616
9	DG	H22	7.389
11	DG	H21	9.02
11	DG	H22	6.927
12	DG	H21	9.206
12	DG	H22	6.333
13	DG	H21	8.716
13	DG	H22	6.866
18	DG	H21	8.878
18	DG	H22	5.938
19	DG	H21	8.891
19	DG	H22	6.54
20	DG	H21	8.301
20	DG	H22	6.593

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	203	188	92.6

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	154	149	96.8

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	49	39	79.6

Methyl group atoms

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

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	24	19	79.2

Histogram of normalized assigned chemical shifts

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Found 1 Document (0.249 seconds)

BMRB: 27053

Sample

Experiments performed 1 experiments Detail

Instrument

Sample

Chemical shift validation 3 contents Detail