BMRBj - BMREntryMaster

Found 1 Document (1.147 seconds)

BMRB: 17678

8BE9

HRas166*GppNHp backbone chemical shift assignments

Authors

Kovrigin, E.L., O'Connor, C.

Assembly

HRas166

Entity

1. HRas166 (polymer, Thiol state: all free), 166 monomers, 18852.99 Da Detail

MTEYKLVVVG AGGVGKSALT IQLIQNHFVD EYDPTIEDSY RKQVVIDGET CLLDILDTAG QEEYSAMRDQ YMRTGEGFLC VFAINNTKSF EDIHQYREQI KRVKDSDDVP MVLVGNKCDL AARTVESRQA QDLARSYGIP YIETSAKTRQ GVEDAFYTLV REIRQH

2. GNP (non-polymer), 522.196 Da
3. MG (non-polymer), 24.305 Da

Total weight

19399.49 Da

Max. entity weight

18852.99 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 87.3 %, Completeness: 37.3 %, Completeness (bb): 68.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	37.3 % (714 of 1915)	16.5 % (164 of 992)	55.8 % (416 of 745)	75.3 % (134 of 178)
Backbone	68.0 % (673 of 990)	40.9 % (139 of 340)	82.3 % (401 of 487)	81.6 % (133 of 163)
Sidechain	14.8 % (160 of 1080)	3.7 % (24 of 652)	32.9 % (136 of 413)	0.0 % (0 of 15)
Aromatic	0.0 % (0 of 134)	0.0 % (0 of 67)	0.0 % (0 of 67)
Methyl	12.0 % (23 of 192)	7.3 % (7 of 96)	16.7 % (16 of 96)

1. HRas166

MTEYKLVVVG AGGVGKSALT IQLIQNHFVD EYDPTIEDSY RKQVVIDGET CLLDILDTAG QEEYSAMRDQ YMRTGEGFLC VFAINNTKSF EDIHQYREQI KRVKDSDDVP MVLVGNKCDL AARTVESRQA QDLARSYGIP YIETSAKTRQ GVEDAFYTLV REIRQH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 (±0.1) K, pH 7.2, Details 1.05 mM 15N-13C H-Ras(1-166)-GNP, pH 7.2, 10mM TRIS, 10 mM NaCl, 5mM MgCl2, 1mM DTT, 0.01% NaN3, 0.1mM EDTA, 1/10 Roche Inhibitors, 1mM GNP in a Shigemi thin-walled tube, 0.33 ml 20 C

#	Name	Isotope labeling	Concentration
1	HRas166	[U-99% 13C; U-99% 15N]	1.05 (±0.1) mM
2	magnesium chloride	natural abundance	5 (±0.1) mM
3	GNP	natural abundance	1 (±0.1) mM
4	TRIS	natural abundance	10 (±0.1) mM
5	sodium chloride	natural abundance	10 (±0.1) mM
6	DTT	natural abundance	1 (±0.1) mM
7	sodium azide	natural abundance	0.01 (±1.0E-4) %
8	roche inhibitors	natural abundance	0.1 (±0.001) na
9	EDTA	natural abundance	0.1 (±0.01) mM
10	H20	natural abundance	90 %
11	D20	natural abundance	10 %

Release date

2011-09-18

Citation

Assignments of backbone ¹H, ¹³C and ¹⁵N resonances in H-Ras (1-166) complexed with GppNHp at physiological pH
Kovrigin, C.
Biomol. NMR Assign. (2012), 6, 91-93, PubMed 21814767 , DOI 10.1007/s12104-011-9332-3 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 18479 released on 2013-02-27
Title HRas166*GDP backbone chemical shift assignments

Related entities 1. HRas166, : 1 : 103 : 3 : 193 entities Detail

Interaction partners 1. HRas166, : 60 interactors Detail

More details for 60 interactors identified by 28 citations

Experiments performed 8 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 (±0.1) K, pH 7.2, Details 1.05 mM 15N-13C H-Ras(1-166)-GNP, pH 7.2, 10mM TRIS, 10 mM NaCl, 5mM MgCl2, 1mM DTT, 0.01% NaN3, 0.1mM EDTA, 1/10 Roche Inhibitors, 1mM GNP in a Shigemi thin-walled tube, 0.33 ml 20 C

#	Name	Isotope labeling	Concentration
1	HRas166	[U-99% 13C; U-99% 15N]	1.05 (±0.1) mM
2	magnesium chloride	natural abundance	5 (±0.1) mM
3	GNP	natural abundance	1 (±0.1) mM
4	TRIS	natural abundance	10 (±0.1) mM
5	sodium chloride	natural abundance	10 (±0.1) mM
6	DTT	natural abundance	1 (±0.1) mM
7	sodium azide	natural abundance	0.01 (±1.0E-4) %
8	roche inhibitors	natural abundance	0.1 (±0.001) na
9	EDTA	natural abundance	0.1 (±0.01) mM
10	H20	natural abundance	90 %
11	D20	natural abundance	10 %

2 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	HRas166	[U-99% 13C; U-99% 15N]	1.05 (±0.1) mM
2	magnesium chloride	natural abundance	5 (±0.1) mM
3	GNP	natural abundance	1 (±0.1) mM
4	TRIS	natural abundance	10 (±0.1) mM
5	sodium chloride	natural abundance	10 (±0.1) mM
6	DTT	natural abundance	1 (±0.1) mM
7	sodium azide	natural abundance	0.01 (±1.0E-4) %
8	roche inhibitors	natural abundance	0.1 (±0.001) na
9	EDTA	natural abundance	0.1 (±0.01) mM
10	H20	natural abundance	90 %
11	D20	natural abundance	10 %

3 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	HRas166	[U-99% 13C; U-99% 15N]	1.05 (±0.1) mM
2	magnesium chloride	natural abundance	5 (±0.1) mM
3	GNP	natural abundance	1 (±0.1) mM
4	TRIS	natural abundance	10 (±0.1) mM
5	sodium chloride	natural abundance	10 (±0.1) mM
6	DTT	natural abundance	1 (±0.1) mM
7	sodium azide	natural abundance	0.01 (±1.0E-4) %
8	roche inhibitors	natural abundance	0.1 (±0.001) na
9	EDTA	natural abundance	0.1 (±0.01) mM
10	H20	natural abundance	90 %
11	D20	natural abundance	10 %

4 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	HRas166	[U-99% 13C; U-99% 15N]	1.05 (±0.1) mM
2	magnesium chloride	natural abundance	5 (±0.1) mM
3	GNP	natural abundance	1 (±0.1) mM
4	TRIS	natural abundance	10 (±0.1) mM
5	sodium chloride	natural abundance	10 (±0.1) mM
6	DTT	natural abundance	1 (±0.1) mM
7	sodium azide	natural abundance	0.01 (±1.0E-4) %
8	roche inhibitors	natural abundance	0.1 (±0.001) na
9	EDTA	natural abundance	0.1 (±0.01) mM
10	H20	natural abundance	90 %
11	D20	natural abundance	10 %

5 3D HN(CO)CA

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	HRas166	[U-99% 13C; U-99% 15N]	1.05 (±0.1) mM
2	magnesium chloride	natural abundance	5 (±0.1) mM
3	GNP	natural abundance	1 (±0.1) mM
4	TRIS	natural abundance	10 (±0.1) mM
5	sodium chloride	natural abundance	10 (±0.1) mM
6	DTT	natural abundance	1 (±0.1) mM
7	sodium azide	natural abundance	0.01 (±1.0E-4) %
8	roche inhibitors	natural abundance	0.1 (±0.001) na
9	EDTA	natural abundance	0.1 (±0.01) mM
10	H20	natural abundance	90 %
11	D20	natural abundance	10 %

6 3D HN(CO)CACB

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	HRas166	[U-99% 13C; U-99% 15N]	1.05 (±0.1) mM
2	magnesium chloride	natural abundance	5 (±0.1) mM
3	GNP	natural abundance	1 (±0.1) mM
4	TRIS	natural abundance	10 (±0.1) mM
5	sodium chloride	natural abundance	10 (±0.1) mM
6	DTT	natural abundance	1 (±0.1) mM
7	sodium azide	natural abundance	0.01 (±1.0E-4) %
8	roche inhibitors	natural abundance	0.1 (±0.001) na
9	EDTA	natural abundance	0.1 (±0.01) mM
10	H20	natural abundance	90 %
11	D20	natural abundance	10 %

7 3D HN(CO)CA

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	HRas166	[U-99% 13C; U-99% 15N]	1.05 (±0.1) mM
2	magnesium chloride	natural abundance	5 (±0.1) mM
3	GNP	natural abundance	1 (±0.1) mM
4	TRIS	natural abundance	10 (±0.1) mM
5	sodium chloride	natural abundance	10 (±0.1) mM
6	DTT	natural abundance	1 (±0.1) mM
7	sodium azide	natural abundance	0.01 (±1.0E-4) %
8	roche inhibitors	natural abundance	0.1 (±0.001) na
9	EDTA	natural abundance	0.1 (±0.01) mM
10	H20	natural abundance	90 %
11	D20	natural abundance	10 %

8 3D 1H-15N NOESY

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	HRas166	[U-99% 13C; U-99% 15N]	1.05 (±0.1) mM
2	magnesium chloride	natural abundance	5 (±0.1) mM
3	GNP	natural abundance	1 (±0.1) mM
4	TRIS	natural abundance	10 (±0.1) mM
5	sodium chloride	natural abundance	10 (±0.1) mM
6	DTT	natural abundance	1 (±0.1) mM
7	sodium azide	natural abundance	0.01 (±1.0E-4) %
8	roche inhibitors	natural abundance	0.1 (±0.001) na
9	EDTA	natural abundance	0.1 (±0.01) mM
10	H20	natural abundance	90 %
11	D20	natural abundance	10 %

Chemical shift validation 5 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr17678_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: bmr17678_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	644		84.3 (chain: 1, length: 166)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 166, Sequence coverage: 84.3%
- Total number of assignments
  - ¹³C chemical shifts: 389
  - ¹H chemical shifts: 127
  - ¹⁵N chemical shifts: 128
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	745	389	52.2
¹H chemical shifts	992	127	12.8
¹⁵N chemical shifts	189	128	67.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	332	269	81.0
¹H chemical shifts	340	127	37.4
¹⁵N chemical shifts	163	128	78.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	413	120	29.1
¹H chemical shifts	652	0	0.0
¹⁵N chemical shifts	26	0	0.0

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Found 1 Document (1.147 seconds)

BMRB: 17678

Sample

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. HRas166, : 1 : 103 : 3 : 193 entities Detail

Interaction partners 1. HRas166, : 60 interactors Detail

Experiments performed 8 experiments Detail

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Chemical shift validation 5 contents Detail