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Found 1 Document (1.013 seconds)

BMRB: 30825

7KYZ

Solution structures of full-length K-RAS bound to GDP

Authors

Sharma, A.K., Maciag, A.E.

Assembly

Isoform 2B of GTPase KRas (E.C.3.6.5.2)

Entity

1. Isoform 2B of GTPase KRas (E.C.3.6.5.2) (polymer), 188 monomers, 21424.29 Da Detail

MTEYKLVVVG AGGVGKSALT IQLIQNHFVD EYDPTIEDSY RKQVVIDGET CLLDILDTAG QEEYSAMRDQ YMRTGEGFLC VFAINNTKSF EDIHHYREQI KRVKDSEDVP MVLVGNKCDL PSRTVDTKQA QDLARSYGIP FIETSAKTRQ GVDDAFYTLV REIRKHKEKM SKDGKKKKKK SKTKCVIM

Formula weight

21424.29 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 90.5 %, Completeness (bb): 99.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.5 % (2018 of 2230)	91.5 % (1063 of 1162)	88.9 % (765 of 861)	91.8 % (190 of 207)
Backbone	99.4 % (1113 of 1120)	99.5 % (382 of 384)	99.3 % (548 of 552)	99.5 % (183 of 184)
Sidechain	84.1 % (1081 of 1286)	87.5 % (681 of 778)	81.0 % (393 of 485)	30.4 % (7 of 23)
Aromatic	32.1 % (45 of 140)	64.3 % (45 of 70)	0.0 % (0 of 70)
Methyl	95.0 % (190 of 200)	96.0 % (96 of 100)	94.0 % (94 of 100)

1. entity 1

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.7-0.9 mM [U-100% 15N] GTPase KRas, 20 mM [U-2H] MES, 100 mM potassium chloride, 50 mM sodium chloride, 2 mM MgCl2, 1 mM [U-2H] TCEP, 7 mM [U-2H] D2O, 0.05 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	MES	[U-2H]	20 (±1.0) mM
2	potassium chloride	natural abundance	100 (±5.0) mM
3	sodium chloride	natural abundance	50 (±2.0) mM
4	MgCl2	natural abundance	2 (±0.05) mM
5	TCEP	[U-2H]	1 (±0.05) mM
6	D2O	[U-2H]	7 (±0.1) mM
7	sodium azide	natural abundance	0.05 (±0.005) %
8	GTPase KRas	[U-100% 15N]	0.7 ~ 0.9 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.7-0.9 mM [U-13C; U-15N] GTPase KRas, 20 mM [U-2H] MES, 100 mM potassium chloride, 50 mM sodium chloride, 2 mM MgCl2, 1 mM [U-2H] TCEP, 7 mM [U-2H] D2O, 0.05 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
9	MES	[U-2H]	20 (±1.0) mM
10	potassium chloride	natural abundance	100 (±5.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	MgCl2	natural abundance	2 (±0.05) mM
13	TCEP	[U-2H]	1 (±0.05) mM
14	D2O	[U-2H]	7 (±0.1) mM
15	sodium azide	natural abundance	0.05 (±0.005) %
16	GTPase KRas	[U-13C; U-15N]	0.7 ~ 0.9 mM

Release date

2021-01-04

Citation

Solution structures of full-length K-RAS bound to GDP
Sharma, A.K., Maciag, A.E.

Related entities 1. Isoform 2B of GTPase KRas (E.C.3.6.5.2), : 1 : 3 : 95 : 200 entities Detail

Interaction partners 1. Isoform 2B of GTPase KRas (E.C.3.6.5.2), : 55 interactors Detail

More details for 55 interactors identified by 18 citations

Experiments performed 15 experiments Detail

1 1D 1H

Instrument

Bruker AVANCE III - 700 MHz TS 3.5.6

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.7-0.9 mM [U-100% 15N] GTPase KRas, 20 mM [U-2H] MES, 100 mM potassium chloride, 50 mM sodium chloride, 2 mM MgCl2, 1 mM [U-2H] TCEP, 7 mM [U-2H] D2O, 0.05 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	MES	[U-2H]	20 (±1.0) mM
2	potassium chloride	natural abundance	100 (±5.0) mM
3	sodium chloride	natural abundance	50 (±2.0) mM
4	MgCl2	natural abundance	2 (±0.05) mM
5	TCEP	[U-2H]	1 (±0.05) mM
6	D2O	[U-2H]	7 (±0.1) mM
7	sodium azide	natural abundance	0.05 (±0.005) %
8	GTPase KRas	[U-100% 15N]	0.7 ~ 0.9 mM

2 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 700 MHz TS 3.5.6

Sample

#	Name	Isotope labeling	Concentration
1	MES	[U-2H]	20 (±1.0) mM
2	potassium chloride	natural abundance	100 (±5.0) mM
3	sodium chloride	natural abundance	50 (±2.0) mM
4	MgCl2	natural abundance	2 (±0.05) mM
5	TCEP	[U-2H]	1 (±0.05) mM
6	D2O	[U-2H]	7 (±0.1) mM
7	sodium azide	natural abundance	0.05 (±0.005) %
8	GTPase KRas	[U-100% 15N]	0.7 ~ 0.9 mM

3 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE III HD - 800 MHz TS 3.5.6

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.7-0.9 mM [U-13C; U-15N] GTPase KRas, 20 mM [U-2H] MES, 100 mM potassium chloride, 50 mM sodium chloride, 2 mM MgCl2, 1 mM [U-2H] TCEP, 7 mM [U-2H] D2O, 0.05 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
9	MES	[U-2H]	20 (±1.0) mM
10	potassium chloride	natural abundance	100 (±5.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	MgCl2	natural abundance	2 (±0.05) mM
13	TCEP	[U-2H]	1 (±0.05) mM
14	D2O	[U-2H]	7 (±0.1) mM
15	sodium azide	natural abundance	0.05 (±0.005) %
16	GTPase KRas	[U-13C; U-15N]	0.7 ~ 0.9 mM

4 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE III HD - 800 MHz TS 3.5.6

Sample

#	Name	Isotope labeling	Concentration
9	MES	[U-2H]	20 (±1.0) mM
10	potassium chloride	natural abundance	100 (±5.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	MgCl2	natural abundance	2 (±0.05) mM
13	TCEP	[U-2H]	1 (±0.05) mM
14	D2O	[U-2H]	7 (±0.1) mM
15	sodium azide	natural abundance	0.05 (±0.005) %
16	GTPase KRas	[U-13C; U-15N]	0.7 ~ 0.9 mM

5 3D 1H-15N TOCSY

Instrument

Bruker AVANCE III - 700 MHz TS 3.5.6

Sample

#	Name	Isotope labeling	Concentration
1	MES	[U-2H]	20 (±1.0) mM
2	potassium chloride	natural abundance	100 (±5.0) mM
3	sodium chloride	natural abundance	50 (±2.0) mM
4	MgCl2	natural abundance	2 (±0.05) mM
5	TCEP	[U-2H]	1 (±0.05) mM
6	D2O	[U-2H]	7 (±0.1) mM
7	sodium azide	natural abundance	0.05 (±0.005) %
8	GTPase KRas	[U-100% 15N]	0.7 ~ 0.9 mM

6 2D 1H-15N HSQC

Instrument

Bruker AVANCE - 900 MHz TS 2.1.6

Sample

#	Name	Isotope labeling	Concentration
9	MES	[U-2H]	20 (±1.0) mM
10	potassium chloride	natural abundance	100 (±5.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	MgCl2	natural abundance	2 (±0.05) mM
13	TCEP	[U-2H]	1 (±0.05) mM
14	D2O	[U-2H]	7 (±0.1) mM
15	sodium azide	natural abundance	0.05 (±0.005) %
16	GTPase KRas	[U-13C; U-15N]	0.7 ~ 0.9 mM

7 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE - 900 MHz TS 2.1.6

Sample

#	Name	Isotope labeling	Concentration
9	MES	[U-2H]	20 (±1.0) mM
10	potassium chloride	natural abundance	100 (±5.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	MgCl2	natural abundance	2 (±0.05) mM
13	TCEP	[U-2H]	1 (±0.05) mM
14	D2O	[U-2H]	7 (±0.1) mM
15	sodium azide	natural abundance	0.05 (±0.005) %
16	GTPase KRas	[U-13C; U-15N]	0.7 ~ 0.9 mM

8 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE - 900 MHz TS 2.1.6

Sample

#	Name	Isotope labeling	Concentration
9	MES	[U-2H]	20 (±1.0) mM
10	potassium chloride	natural abundance	100 (±5.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	MgCl2	natural abundance	2 (±0.05) mM
13	TCEP	[U-2H]	1 (±0.05) mM
14	D2O	[U-2H]	7 (±0.1) mM
15	sodium azide	natural abundance	0.05 (±0.005) %
16	GTPase KRas	[U-13C; U-15N]	0.7 ~ 0.9 mM

9 3D 1H-15N NOESY

Instrument

Bruker AVANCE - 900 MHz TS 2.1.6

Sample

#	Name	Isotope labeling	Concentration
9	MES	[U-2H]	20 (±1.0) mM
10	potassium chloride	natural abundance	100 (±5.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	MgCl2	natural abundance	2 (±0.05) mM
13	TCEP	[U-2H]	1 (±0.05) mM
14	D2O	[U-2H]	7 (±0.1) mM
15	sodium azide	natural abundance	0.05 (±0.005) %
16	GTPase KRas	[U-13C; U-15N]	0.7 ~ 0.9 mM

10 3D HNCO

Instrument

Bruker AVANCE III - 700 MHz TS 3.5.6

Sample

#	Name	Isotope labeling	Concentration
9	MES	[U-2H]	20 (±1.0) mM
10	potassium chloride	natural abundance	100 (±5.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	MgCl2	natural abundance	2 (±0.05) mM
13	TCEP	[U-2H]	1 (±0.05) mM
14	D2O	[U-2H]	7 (±0.1) mM
15	sodium azide	natural abundance	0.05 (±0.005) %
16	GTPase KRas	[U-13C; U-15N]	0.7 ~ 0.9 mM

11 3D C(CO)NH

Instrument

Bruker AVANCE III - 700 MHz TS 3.5.6

Sample

#	Name	Isotope labeling	Concentration
9	MES	[U-2H]	20 (±1.0) mM
10	potassium chloride	natural abundance	100 (±5.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	MgCl2	natural abundance	2 (±0.05) mM
13	TCEP	[U-2H]	1 (±0.05) mM
14	D2O	[U-2H]	7 (±0.1) mM
15	sodium azide	natural abundance	0.05 (±0.005) %
16	GTPase KRas	[U-13C; U-15N]	0.7 ~ 0.9 mM

12 3D HN(CO)CA

Instrument

Bruker AVANCE III - 700 MHz TS 3.5.6

Sample

#	Name	Isotope labeling	Concentration
9	MES	[U-2H]	20 (±1.0) mM
10	potassium chloride	natural abundance	100 (±5.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	MgCl2	natural abundance	2 (±0.05) mM
13	TCEP	[U-2H]	1 (±0.05) mM
14	D2O	[U-2H]	7 (±0.1) mM
15	sodium azide	natural abundance	0.05 (±0.005) %
16	GTPase KRas	[U-13C; U-15N]	0.7 ~ 0.9 mM

13 3D HNCA

Instrument

Bruker AVANCE III - 700 MHz TS 3.5.6

Sample

#	Name	Isotope labeling	Concentration
9	MES	[U-2H]	20 (±1.0) mM
10	potassium chloride	natural abundance	100 (±5.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	MgCl2	natural abundance	2 (±0.05) mM
13	TCEP	[U-2H]	1 (±0.05) mM
14	D2O	[U-2H]	7 (±0.1) mM
15	sodium azide	natural abundance	0.05 (±0.005) %
16	GTPase KRas	[U-13C; U-15N]	0.7 ~ 0.9 mM

14 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 700 MHz TS 3.5.6

Sample

#	Name	Isotope labeling	Concentration
9	MES	[U-2H]	20 (±1.0) mM
10	potassium chloride	natural abundance	100 (±5.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	MgCl2	natural abundance	2 (±0.05) mM
13	TCEP	[U-2H]	1 (±0.05) mM
14	D2O	[U-2H]	7 (±0.1) mM
15	sodium azide	natural abundance	0.05 (±0.005) %
16	GTPase KRas	[U-13C; U-15N]	0.7 ~ 0.9 mM

15 3D HNCACB

Instrument

Bruker AVANCE III - 700 MHz TS 3.5.6

Sample

#	Name	Isotope labeling	Concentration
9	MES	[U-2H]	20 (±1.0) mM
10	potassium chloride	natural abundance	100 (±5.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	MgCl2	natural abundance	2 (±0.05) mM
13	TCEP	[U-2H]	1 (±0.05) mM
14	D2O	[U-2H]	7 (±0.1) mM
15	sodium azide	natural abundance	0.05 (±0.005) %
16	GTPase KRas	[U-13C; U-15N]	0.7 ~ 0.9 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30825_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: bmr30825_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	2208		100.0 (chain: 1, length: 188)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 188, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 1255
  - ¹³C chemical shifts: 763
  - ¹⁵N chemical shifts: 190
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- 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 (%)
¹H chemical shifts	1162	1063	91.5
¹³C chemical shifts	861	763	88.6
¹⁵N chemical shifts	207	190	91.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	384	382	99.5
¹³C chemical shifts	376	370	98.4
¹⁵N chemical shifts	184	183	99.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	778	681	87.5
¹³C chemical shifts	485	393	81.0
¹⁵N chemical shifts	23	7	30.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	106	96	90.6
¹³C chemical shifts	106	94	88.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	70	45	64.3
¹³C chemical shifts	70	0	0.0

Keywords CELL CYCLE

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Found 1 Document (1.013 seconds)

BMRB: 30825

Sample #1

Sample #2

Related entities 1. Isoform 2B of GTPase KRas (E.C.3.6.5.2), : 1 : 3 : 95 : 200 entities Detail

Interaction partners 1. Isoform 2B of GTPase KRas (E.C.3.6.5.2), : 55 interactors Detail

Experiments performed 15 experiments Detail

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Chemical shift validation 3 contents Detail