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BMRB: 25900

2N9C

NRAS Isoform 5

Authors

Markowitz, J., Mal, T.K., Yuan, C., Courtney, N.B., Patel, M., Stiff, A.R., Blachly, J., Walker, C., Eisfeld, A., de la Chapelle, A., Carson, W.E.

Assembly

NRAS Isoform 5

Entity

1. NRAS Isoform 5 (polymer, Thiol state: not present), 20 monomers, 2117.468 Da Detail

MTEYKLVVVG AGGVGKSHVW

Formula weight

2117.468 Da

Exptl. method

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

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

Polymer type: polypeptide(L)

	Total	¹H
All	100.0 % (112 of 112)	100.0 % (112 of 112)
Backbone	100.0 % (44 of 44)	100.0 % (44 of 44)
Sidechain	100.0 % (68 of 68)	100.0 % (68 of 68)
Aromatic	100.0 % (12 of 12)	100.0 % (12 of 12)
Methyl	100.0 % (14 of 14)	100.0 % (14 of 14)

1. entity

MTEYKLVVVG AGGVGKSHVW

Show sample condition

Sample

Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 298 K, pH 6.5, Details pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	TFE	[U-99% 2H]		56 %
2	entity	natural abundance		1 mM
3	sodium azide	natural abundance		10 uM
4	sodium phosphate	natural abundance		4 mM
5	EDTA	[U-99% 2H]		50 uM

Protein Blocks Logo

Calculated from 25 models in PDB: 2N9C, Strand ID: A Detail

Release date

2016-03-20

Citation

Structural Characterization of NRAS Isoform 5
Markowitz, J., Mal, T.K., Yuan, C., Courtney, N.B., Patel, M., Stiff, A.R., Blachly, J., Walker, C., Eisfeld, A., de la Chapelle, A., Carson, W.E.
Protein Sci. (2016), 25, 1069-1074, PubMed 26947772 , DOI 10.1002/pro.2916 , Abstract

Related entities 1. NRAS Isoform 5, : 1 : 82 entities Detail

Experiments performed 6 experiments Detail

1 2D 1H-1H NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 298 K, pH 6.5, Details pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	TFE	[U-99% 2H]		56 %
2	entity	natural abundance		1 mM
3	sodium azide	natural abundance		10 uM
4	sodium phosphate	natural abundance		4 mM
5	EDTA	[U-99% 2H]		50 uM

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 298 K, pH 6.5, Details pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	TFE	[U-99% 2H]		56 %
2	entity	natural abundance		1 mM
3	sodium azide	natural abundance		10 uM
4	sodium phosphate	natural abundance		4 mM
5	EDTA	[U-99% 2H]		50 uM

3 2D 1H-1H TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 298 K, pH 6.5, Details pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	TFE	[U-99% 2H]		56 %
2	entity	natural abundance		1 mM
3	sodium azide	natural abundance		10 uM
4	sodium phosphate	natural abundance		4 mM
5	EDTA	[U-99% 2H]		50 uM

4 2D 13C-1H HSQC-TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 298 K, pH 6.5, Details pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	TFE	[U-99% 2H]		56 %
2	entity	natural abundance		1 mM
3	sodium azide	natural abundance		10 uM
4	sodium phosphate	natural abundance		4 mM
5	EDTA	[U-99% 2H]		50 uM

5 2D 13C-1H HSQC-NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 298 K, pH 6.5, Details pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	TFE	[U-99% 2H]		56 %
2	entity	natural abundance		1 mM
3	sodium azide	natural abundance		10 uM
4	sodium phosphate	natural abundance		4 mM
5	EDTA	[U-99% 2H]		50 uM

6 2D DQF-COSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 298 K, pH 6.5, Details pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	TFE	[U-99% 2H]		56 %
2	entity	natural abundance		1 mM
3	sodium azide	natural abundance		10 uM
4	sodium phosphate	natural abundance		4 mM
5	EDTA	[U-99% 2H]		50 uM

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_25900_2n9c.nef
Input source #2: Coordindates	2n9c.cif
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

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20
MTEYKLVVVGAGGVGKSHVW
||||||||||||||||||||
MTEYKLVVVGAGGVGKSHVW

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	20	0	0	100.0

Content subtype: combined_25900_2n9c.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	120		100.0 (chain: A, length: 20)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	271 (1)	noe	100.0 (chain: A, length: 20)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 120
- Completeness of assignments
  - Entity_assemble_ID: A
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 100.0%
- Total number of restraints: 271
- Weight of restraints: 1.0 (271)
- Potential type of restraints: upper-bound-parabolic (271)
- Range of distance target values: 2.4, 5.5 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Keywords NRAS, coil, helix, turn