BMRBj - BMREntryMaster

Found 1 Document (1.18 seconds)

BMRB: 18479

8BE9

HRas166*GDP 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

Formula weight

18852.99 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.4 %, Completeness: 48.9 %, Completeness (bb): 82.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	48.9 % (937 of 1915)	26.8 % (266 of 992)	68.9 % (513 of 745)	88.8 % (158 of 178)
Backbone	82.1 % (813 of 990)	54.1 % (184 of 340)	96.7 % (471 of 487)	96.9 % (158 of 163)
Sidechain	25.1 % (271 of 1080)	12.6 % (82 of 652)	45.8 % (189 of 413)	0.0 % (0 of 15)
Aromatic	10.4 % (14 of 134)	11.9 % (8 of 67)	9.0 % (6 of 67)
Methyl	32.8 % (63 of 192)	28.1 % (27 of 96)	37.5 % (36 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 0.95mM, 15N-13C HRas(1-166)-GDP, 10mM TRIS, 10mM NaCl, 5mM MgCl2, 0.01% NaN3, 0.1mM EDTA, 1mM GDP, 1mM DTT, Roche inhibitors (RI) 1/100 in a 3 mm tube, 0.2 ml

#	Name	Isotope labeling	Concentration
1	HRas166	[U-99% 13C; U-99% 15N]	0.95 (±0.1) mM
2	magnesium chloride	natural abundance	5 (±0.1) mM
3	GDP	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	0.01 (±0.001) na
9	EDTA	natural abundance	0.1 (±0.01) mM
10	H2O	natural abundance	90 %
11	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.09 ppm, Outliers: 5 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.09 ppm, Outliers: 5 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.2 ppm, Outliers: 3 Detail

Release date

2013-02-27

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: 17678 released on 2011-09-18
Title HRas166*GppNHp 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 7 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 0.95mM, 15N-13C HRas(1-166)-GDP, 10mM TRIS, 10mM NaCl, 5mM MgCl2, 0.01% NaN3, 0.1mM EDTA, 1mM GDP, 1mM DTT, Roche inhibitors (RI) 1/100 in a 3 mm tube, 0.2 ml

#	Name	Isotope labeling	Concentration
1	HRas166	[U-99% 13C; U-99% 15N]	0.95 (±0.1) mM
2	magnesium chloride	natural abundance	5 (±0.1) mM
3	GDP	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	0.01 (±0.001) na
9	EDTA	natural abundance	0.1 (±0.01) mM
10	H2O	natural abundance	90 %
11	D2O	natural abundance	10 %

2 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	HRas166	[U-99% 13C; U-99% 15N]	0.95 (±0.1) mM
2	magnesium chloride	natural abundance	5 (±0.1) mM
3	GDP	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	0.01 (±0.001) na
9	EDTA	natural abundance	0.1 (±0.01) mM
10	H2O	natural abundance	90 %
11	D2O	natural abundance	10 %

3 3D HN(CA)CO

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	HRas166	[U-99% 13C; U-99% 15N]	0.95 (±0.1) mM
2	magnesium chloride	natural abundance	5 (±0.1) mM
3	GDP	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	0.01 (±0.001) na
9	EDTA	natural abundance	0.1 (±0.01) mM
10	H2O	natural abundance	90 %
11	D2O	natural abundance	10 %

4 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	HRas166	[U-99% 13C; U-99% 15N]	0.95 (±0.1) mM
2	magnesium chloride	natural abundance	5 (±0.1) mM
3	GDP	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	0.01 (±0.001) na
9	EDTA	natural abundance	0.1 (±0.01) mM
10	H2O	natural abundance	90 %
11	D2O	natural abundance	10 %

5 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	HRas166	[U-99% 13C; U-99% 15N]	0.95 (±0.1) mM
2	magnesium chloride	natural abundance	5 (±0.1) mM
3	GDP	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	0.01 (±0.001) na
9	EDTA	natural abundance	0.1 (±0.01) mM
10	H2O	natural abundance	90 %
11	D2O	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]	0.95 (±0.1) mM
2	magnesium chloride	natural abundance	5 (±0.1) mM
3	GDP	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	0.01 (±0.001) na
9	EDTA	natural abundance	0.1 (±0.01) mM
10	H2O	natural abundance	90 %
11	D2O	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]	0.95 (±0.1) mM
2	magnesium chloride	natural abundance	5 (±0.1) mM
3	GDP	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	0.01 (±0.001) na
9	EDTA	natural abundance	0.1 (±0.01) mM
10	H2O	natural abundance	90 %
11	D2O	natural abundance	10 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr18479_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: bmr18479_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	786		99.4 (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: 99.4%
- Total number of assignments
  - ¹³C chemical shifts: 469
  - ¹H chemical shifts: 159
  - ¹⁵N chemical shifts: 158
- 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	469	63.0
¹H chemical shifts	992	159	16.0
¹⁵N chemical shifts	189	158	83.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	332	324	97.6
¹H chemical shifts	340	159	46.8
¹⁵N chemical shifts	163	158	96.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	413	145	35.1
¹H chemical shifts	652	0	0.0
¹⁵N chemical shifts	26	0	0.0

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Found 1 Document (1.18 seconds)

BMRB: 18479

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

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 7 experiments Detail

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Chemical shift validation 3 contents Detail