The haddock model of GDP KRas in complex with promethazine using NMR chemical shift perturbations
MTEYKLVVVG AGGVGKSALT IQLIQNHFVD EYDPTIEDSY RKQVVIDGET CLLDILDTAG QEEYSAMRDQ YMRTGEGFLC VFAINNTKSF EDIHHYREQI KRVKDSEDVP MVLVGNKCDL PSRTVDTKQA QDLARSYGIP FIETSAKTRQ GVDDAFYTLV REIRKHKEK
Polymer type: polypeptide(L)
Total | 1H | 15N | |
---|---|---|---|
All | 27.3 % (330 of 1211) | 17.1 % (175 of 1023) | 82.4 % (155 of 188) |
Backbone | 61.4 % (313 of 510) | 45.8 % (158 of 345) | 93.9 % (155 of 165) |
Sidechain | 2.4 % (17 of 701) | 2.5 % (17 of 678) | 0.0 % (0 of 23) |
Aromatic | 0.0 % (0 of 70) | 0.0 % (0 of 70) | |
Methyl | 2.1 % (2 of 95) | 2.1 % (2 of 95) |
1. entity 1
MTEYKLVVVG AGGVGKSALT IQLIQNHFVD EYDPTIEDSY RKQVVIDGET CLLDILDTAG QEEYSAMRDQ YMRTGEGFLC VFAINNTKSF EDIHHYREQI KRVKDSEDVP MVLVGNKCDL PSRTVDTKQA QDLARSYGIP FIETSAKTRQ GVDDAFYTLV REIRKHKEKSolvent system 95% H2O/5% D2O, Pressure 1 Pa, Temperature 298 K, pH 7.4, Details 0.8 mM [U-99% 13C; U-99% 15N] GTPase KRas, 1.0 mM PMZ, 5 mM [U-99% 2H] DTT, 25 mM sodium phosphate, 50 mM sodium chloride, 10 uM [U-99% 2H] DSS, 5 mM MAGNESIUM ION, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | GTPase KRas | [U-99% 13C; U-99% 15N] | 0.8 mM | |
2 | PMZ | natural abundance | 1.0 mM | |
3 | DTT | [U-99% 2H] | 5 mM | |
4 | sodium phosphate | natural abundance | 25 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | DSS | [U-99% 2H] | 10 uM | |
7 | MAGNESIUM ION | natural abundance | 5 mM |
Solvent system 100% D2O, Pressure 1 Pa, Temperature 298 K, pH 7.4, Details 0.8 mM [U-99% 13C; U-99% 15N] GTPase KRas, 1.0 mM PMZ, 5 mM [U-99% 2H] DTT, 25 mM sodium phosphate, 50 mM sodium chloride, 5 mM MAGNESIUM ION, 10 uM [U-99% 2H] DSS, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | GTPase KRas | [U-99% 13C; U-99% 15N] | 0.8 mM | |
9 | PMZ | natural abundance | 1.0 mM | |
10 | DTT | [U-99% 2H] | 5 mM | |
11 | sodium phosphate | natural abundance | 25 mM | |
12 | sodium chloride | natural abundance | 50 mM | |
13 | DSS | [U-99% 2H] | 10 uM | |
14 | MAGNESIUM ION | natural abundance | 5 mM |