NMR data-driven model of GTPase KRas-GMPPNP:Cmpd2 complex tethered to a nanodisc
GPLKLLDNWD SVTSTFSKLR EQLGPVTQEF WDNLEKETEG LRQEMSKDLE EVKAKVQPYL DDFQKKWQEE MELYRQKVEP LRAELQEGAR QKLHELQEKL SPLGEEMRDR ARAHVDALRT HLAPYSDELR QRLAARLEAL KENGGARLAE YHAKATEHLS TLSEKAKPAL EDLRQGLLPV LESFKVSFLS ALEEYTKKLN
GSMTEYKLVV VGAVGVGKSA LTIQLIQNHF VDEYDPTIED SYRKQVVIDG ETCLLDILDT AGQEEYSAMR DQYMRTGEGF LCVFAINNTK SFEDIHHYRE QIKRVKDSED VPMVLVGNKC DLPSRTVDTK QAQDLARSYG IPFIETSAKT RQGVDDAFYT LVREIRKHKE KMSKDGKKKK KKSKTKC
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 6.4 % (297 of 4619) | 5.7 % (138 of 2430) | 3.6 % (65 of 1782) | 23.1 % (94 of 407) |
Backbone | 9.8 % (225 of 2298) | 12.5 % (98 of 782) | 2.9 % (33 of 1141) | 25.1 % (94 of 375) |
Sidechain | 3.1 % (83 of 2688) | 2.4 % (40 of 1648) | 4.3 % (43 of 1008) | 0.0 % (0 of 32) |
Aromatic | 0.7 % (2 of 286) | 0.0 % (0 of 143) | 1.4 % (2 of 140) | 0.0 % (0 of 3) |
Methyl | 13.2 % (54 of 410) | 13.2 % (27 of 205) | 13.2 % (27 of 205) |
1. entity 1
GPLKLLDNWD SVTSTFSKLR EQLGPVTQEF WDNLEKETEG LRQEMSKDLE EVKAKVQPYL DDFQKKWQEE MELYRQKVEP LRAELQEGAR QKLHELQEKL SPLGEEMRDR ARAHVDALRT HLAPYSDELR QRLAARLEAL KENGGARLAE YHAKATEHLS TLSEKAKPAL EDLRQGLLPV LESFKVSFLS ALEEYTKKLN2. entity 2
GSMTEYKLVV VGAVGVGKSA LTIQLIQNHF VDEYDPTIED SYRKQVVIDG ETCLLDILDT AGQEEYSAMR DQYMRTGEGF LCVFAINNTK SFEDIHHYRE QIKRVKDSED VPMVLVGNKC DLPSRTVDTK QAQDLARSYG IPFIETSAKT RQGVDDAFYT LVREIRKHKE KMSKDGKKKK KKSKTKCSolvent 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 | Type | 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 |
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, 1 mM Cmpd2, 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 | Type | Concentration |
---|---|---|---|---|
11 | GTPase KRas isoform b | U-15N, Ile, Leu C-delta-13C, Val C-gamma-13C | 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 | Cmpd2 | natural abundance | 1 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 0.2 mM [U-15N] GTPase KRas isoform b, 1 mM Cmpd2, 100 mM sodium chloride, 20 mM TRIS, 5 mM magnesium chloride, 2 mM TCEP, 0.2 mM GMPPNP, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
22 | GTPase KRas isoform b | [U-15N] | 0.2 mM | |
23 | sodium chloride | natural abundance | 100 mM | |
24 | TRIS | natural abundance | 20 mM | |
25 | magnesium chloride | natural abundance | 5 mM | |
26 | TCEP | natural abundance | 2 mM | |
27 | GMPPNP | natural abundance | 0.2 mM | |
28 | Cmpd2 | natural abundance | 1 mM |