BMRBj - BMREntryMaster

Found 1 Document (1.236 seconds)

BMRB: 30403

6CCX

NMR data-driven model of GTPase KRas-GMPPNP:Cmpd2 complex tethered to a nanodisc

Authors

Fang, Z., Marshall, C.B., Nishikawa, T., Gossert, A.D., Jansen, J.M., Jahnke, W., Ikura, M.

Assembly

Apolipoprotein A-I, GTPase KRas

Entity

1. Apolipoprotein A-I, GTPase KRas, entity 1 (polymer, Thiol state: not present), 200 monomers, 23196.96 × 2 Da Detail

GPLKLLDNWD SVTSTFSKLR EQLGPVTQEF WDNLEKETEG LRQEMSKDLE EVKAKVQPYL DDFQKKWQEE MELYRQKVEP LRAELQEGAR QKLHELQEKL SPLGEEMRDR ARAHVDALRT HLAPYSDELR QRLAARLEAL KENGGARLAE YHAKATEHLS TLSEKAKPAL EDLRQGLLPV LESFKVSFLS ALEEYTKKLN

2. Apolipoprotein A-I, GTPase KRas, entity 2 (polymer), 187 monomers, 21267.01 Da Detail

GSMTEYKLVV VGAVGVGKSA LTIQLIQNHF VDEYDPTIED SYRKQVVIDG ETCLLDILDT AGQEEYSAMR DQYMRTGEGF LCVFAINNTK SFEDIHHYRE QIKRVKDSED VPMVLVGNKC DLPSRTVDTK QAQDLARSYG IPFIETSAKT RQGVDDAFYT LVREIRKHKE KMSKDGKKKK KKSKTKC

3. Apolipoprotein A-I, GTPase KRas, entity PCW (non-polymer), 787.121 × 64 Da
4. Apolipoprotein A-I, GTPase KRas, entity 17F (non-polymer), 788.043 × 16 Da
5. Apolipoprotein A-I, GTPase KRas, entity GNP (non-polymer), 522.196 Da
6. Apolipoprotein A-I, GTPase KRas, entity MG (non-polymer), 24.305 Da
7. Apolipoprotein A-I, GTPase KRas, entity EWS (non-polymer), 447.776 Da

Total weight

131639.66 Da

Max. entity weight

23196.96 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 27.1 %, Completeness: 7.9 %, Completeness (bb): 10.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	7.9 % (363 of 4619)	7.5 % (183 of 2430)	4.8 % (85 of 1782)	23.3 % (95 of 407)
Backbone	10.7 % (246 of 2298)	13.8 % (108 of 782)	3.9 % (44 of 1141)	25.1 % (94 of 375)
Sidechain	4.9 % (133 of 2688)	4.6 % (75 of 1648)	5.7 % (57 of 1008)	3.1 % (1 of 32)
Aromatic	1.4 % (4 of 286)	1.4 % (2 of 143)	1.4 % (2 of 140)	0.0 % (0 of 3)
Methyl	14.6 % (60 of 410)	14.6 % (30 of 205)	14.6 % (30 of 205)

1. entity 1

2. entity 2

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 0.2 mM U-15N, Ile, Leu C-delta-13C, Val C-gamma-13C GTPase KRas isoform b, 0.4 mM Membrane Scaffold Protein, 100 mM sodium chloride, 20 mM TRIS, 5 mM magnesium chloride, 2 mM TCEP, 0.2 mM GMPPNP, 12 mM DOPC, 3.2 mM DOPS, 0.8 mM PE-MCC, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	GTPase KRas isoform b	U-15N, Ile, Leu C-delta-13C, Val C-gamma-13C	0.2 mM
2	Membrane Scaffold Protein	natural abundance	0.4 mM
3	sodium chloride	natural abundance	100 mM
4	TRIS	natural abundance	20 mM
5	magnesium chloride	natural abundance	5 mM
6	TCEP	natural abundance	2 mM
7	GMPPNP	natural abundance	0.2 mM
8	DOPC	natural abundance	12 mM
9	DOPS	natural abundance	3.2 mM
10	PE-MCC	natural abundance	0.8 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 0.2 mM GTPase KRas isoform b, 0.4 mM Membrane Scaffold Protein, 100 mM sodium chloride, 20 mM TRIS, 5 mM magnesium chloride, 2 mM TCEP, 0.2 mM GMPPNP, 12 mM DOPC, 3.2 mM DOPS, 0.8 mM PE-MCC, 0.4 mM PE-DTPA-Gd, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
11	GTPase KRas isoform b	natural abundance	0.2 mM
12	Membrane Scaffold Protein	natural abundance	0.4 mM
13	sodium chloride	natural abundance	100 mM
14	TRIS	natural abundance	20 mM
15	magnesium chloride	natural abundance	5 mM
16	TCEP	natural abundance	2 mM
17	GMPPNP	natural abundance	0.2 mM
18	DOPC	natural abundance	12 mM
19	DOPS	natural abundance	3.2 mM
20	PE-MCC	natural abundance	0.8 mM
21	PE-DTPA-Gd	natural abundance	0.4 mM

Release date

2018-04-24

Citation

Inhibition of K-RAS4B by a Unique Mechanism of Action: Stabilizing Membrane-Dependent Occlusion of the Effector-Binding Site
Fang, Z., Marshall, C.B., Nishikawa, T., Gossert, A.D., Jansen, J.M., Jahnke, W., Ikura, M.
Cell Chem. Biol. (2018), 25, 1327-11336, PubMed 30122370 , DOI 10.1016/j.chembiol.2018.07.009 , Abstract

Related entities 1. Apolipoprotein A-I, GTPase KRas, entity 1, : 1 : 9 : 11 : 109 entities Detail

Related entities 2. Apolipoprotein A-I, GTPase KRas, entity 2, : 100 entities Detail

Interaction partners 1. Apolipoprotein A-I, GTPase KRas, entity 1, : 37 interactors Detail

More details for 37 interactors identified by 22 citations

Experiments performed 4 experiments Detail

1 2D 1H-15N TROSY

Instrument

Bruker AvanceII - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 0.2 mM U-15N, Ile, Leu C-delta-13C, Val C-gamma-13C GTPase KRas isoform b, 0.4 mM Membrane Scaffold Protein, 100 mM sodium chloride, 20 mM TRIS, 5 mM magnesium chloride, 2 mM TCEP, 0.2 mM GMPPNP, 12 mM DOPC, 3.2 mM DOPS, 0.8 mM PE-MCC, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	GTPase KRas isoform b	U-15N, Ile, Leu C-delta-13C, Val C-gamma-13C	0.2 mM
2	Membrane Scaffold Protein	natural abundance	0.4 mM
3	sodium chloride	natural abundance	100 mM
4	TRIS	natural abundance	20 mM
5	magnesium chloride	natural abundance	5 mM
6	TCEP	natural abundance	2 mM
7	GMPPNP	natural abundance	0.2 mM
8	DOPC	natural abundance	12 mM
9	DOPS	natural abundance	3.2 mM
10	PE-MCC	natural abundance	0.8 mM

2 2D 1H-15N TROSY

Instrument

Bruker AvanceII - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 0.2 mM GTPase KRas isoform b, 0.4 mM Membrane Scaffold Protein, 100 mM sodium chloride, 20 mM TRIS, 5 mM magnesium chloride, 2 mM TCEP, 0.2 mM GMPPNP, 12 mM DOPC, 3.2 mM DOPS, 0.8 mM PE-MCC, 0.4 mM PE-DTPA-Gd, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
11	GTPase KRas isoform b	natural abundance	0.2 mM
12	Membrane Scaffold Protein	natural abundance	0.4 mM
13	sodium chloride	natural abundance	100 mM
14	TRIS	natural abundance	20 mM
15	magnesium chloride	natural abundance	5 mM
16	TCEP	natural abundance	2 mM
17	GMPPNP	natural abundance	0.2 mM
18	DOPC	natural abundance	12 mM
19	DOPS	natural abundance	3.2 mM
20	PE-MCC	natural abundance	0.8 mM
21	PE-DTPA-Gd	natural abundance	0.4 mM

3 2D 1H-13C HMQC

Instrument

Bruker AvanceII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
11	GTPase KRas isoform b	natural abundance	0.2 mM
12	Membrane Scaffold Protein	natural abundance	0.4 mM
13	sodium chloride	natural abundance	100 mM
14	TRIS	natural abundance	20 mM
15	magnesium chloride	natural abundance	5 mM
16	TCEP	natural abundance	2 mM
17	GMPPNP	natural abundance	0.2 mM
18	DOPC	natural abundance	12 mM
19	DOPS	natural abundance	3.2 mM
20	PE-MCC	natural abundance	0.8 mM
21	PE-DTPA-Gd	natural abundance	0.4 mM

4 2D 1H-13C HMQC

Instrument

Bruker AvanceII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	GTPase KRas isoform b	U-15N, Ile, Leu C-delta-13C, Val C-gamma-13C	0.2 mM
2	Membrane Scaffold Protein	natural abundance	0.4 mM
3	sodium chloride	natural abundance	100 mM
4	TRIS	natural abundance	20 mM
5	magnesium chloride	natural abundance	5 mM
6	TCEP	natural abundance	2 mM
7	GMPPNP	natural abundance	0.2 mM
8	DOPC	natural abundance	12 mM
9	DOPS	natural abundance	3.2 mM
10	PE-MCC	natural abundance	0.8 mM

nullKeywords MEMBRANE PROTEIN-ONCOPROTEIN complex, protein-bilayer-compound complex

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Found 1 Document (1.236 seconds)

BMRB: 30403

Sample #1

Sample #2

Related entities 1. Apolipoprotein A-I, GTPase KRas, entity 1, : 1 : 9 : 11 : 109 entities Detail

Related entities 2. Apolipoprotein A-I, GTPase KRas, entity 2, : 100 entities Detail

Interaction partners 1. Apolipoprotein A-I, GTPase KRas, entity 1, : 37 interactors Detail

Experiments performed 4 experiments Detail

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