Folding Intermediate of the Fyn SH3 A39V/N53P/V55L from NMR Relaxation Dispersion Experiments
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 77.2 % (590 of 764) | 87.8 % (345 of 393) | 58.7 % (178 of 303) | 98.5 % (67 of 68) |
Backbone | 85.4 % (333 of 390) | 97.0 % (130 of 134) | 73.1 % (141 of 193) | 98.4 % (62 of 63) |
Sidechain | 62.1 % (270 of 435) | 83.0 % (215 of 259) | 29.2 % (50 of 171) | 100.0 % (5 of 5) |
Aromatic | 31.1 % (28 of 90) | 53.3 % (24 of 45) | 4.7 % (2 of 43) | 100.0 % (2 of 2) |
Methyl | 100.0 % (66 of 66) | 100.0 % (33 of 33) | 100.0 % (33 of 33) |
1. Fyn SH3 A39V-N53P-V55L
GAMVQISTLF EALYDYEART EDDLSFHKGE KFQILNSSEG DWWEVRSLTT GETGYIPSPY LAPVDRSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Fyn SH3 A39V/N53P/V55L | [U-15N] | 0.7 mM | |
2 | EDTA | natural abundance | 0.2 mM | |
3 | sodium azide | natural abundance | 0.05 % | |
4 | potassium phosphate | natural abundance | 50 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | Fyn SH3 A39V/N53P/V55L | [U-15N; U-2H] | 1.0 mM | |
8 | EDTA | natural abundance | 0.2 mM | |
9 | sodium azide | natural abundance | 0.05 % | |
10 | potassium phosphate | natural abundance | 50 mM | |
11 | H2O | natural abundance | 90 % | |
12 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | Fyn SH3 A39V/N53P/V55L | [U-15N; U-2H] | 0.8 mM | |
14 | EDTA | natural abundance | 0.2 mM | |
15 | sodium azide | natural abundance | 0.05 % | |
16 | potassium phosphate | natural abundance | 50 mM | |
17 | Pf1 phage | natural abundance | 24 mg/mL | |
18 | H2O | natural abundance | 90 % | |
19 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
20 | Fyn SH3 A39V/N53P/V55L | [U-15N; U-2H] | 0.5 mM | |
21 | EDTA | natural abundance | 0.2 mM | |
22 | sodium azide | natural abundance | 0.05 % | |
23 | potassium phosphate | natural abundance | 50 mM | |
24 | PEG/hexanol | natural abundance | uncertain v/v | |
25 | H2O | natural abundance | 90 % | |
26 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
27 | Fyn SH3 A39V/N53P/V55L | [U-13C; U-15N; U-2H] | 1.2 mM | |
28 | EDTA | natural abundance | 0.2 mM | |
29 | sodium azide | natural abundance | 0.05 % | |
30 | potassium phosphate | natural abundance | 50 mM | |
31 | H2O | natural abundance | 90 % | |
32 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
33 | Fyn SH3 A39V/N53P/V55L | [U-13C; U-15N; U-2H] | 0.8 mM | |
34 | EDTA | natural abundance | 0.2 mM | |
35 | sodium azide | natural abundance | 0.05 % | |
36 | potassium phosphate | natural abundance | 50 mM | |
37 | Pf1 phage | natural abundance | 36 mg/mL | |
38 | H2O | natural abundance | 90 % | |
39 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
40 | Fyn SH3 A39V/N53P/V55L | [U-13C; U-15N; U-50% 2H] | 1.0 mM | |
41 | EDTA | natural abundance | 0.2 mM | |
42 | sodium azide | natural abundance | 0.05 % | |
43 | potassium phosphate | natural abundance | 50 mM | |
44 | H2O | natural abundance | 90 % | |
45 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
46 | Fyn SH3 A39V/N53P/V55L | [U-13C; U-15N; U-50% 2H] | 1.0 mM | |
47 | EDTA | natural abundance | 0.2 mM | |
48 | sodium azide | natural abundance | 0.05 % | |
49 | potassium phosphate | natural abundance | 50 mM | |
50 | D2O | natural abundance | 100 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
51 | Fyn SH3 A39V/N53P/V55L | [2'-13C glucose; U-15N] | 1.0 mM | |
52 | EDTA | natural abundance | 0.2 mM | |
53 | sodium azide | natural abundance | 0.05 % | |
54 | potassium phosphate | natural abundance | 50 mM | |
55 | D2O | natural abundance | 100 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
56 | Fyn SH3 A39V/N53P/V55L | [1'-13C glucose; U-15N] | 1.0 mM | |
57 | EDTA | natural abundance | 0.2 mM | |
58 | sodium azide | natural abundance | 0.05 % | |
59 | potassium phosphate | natural abundance | 50 mM | |
60 | H2O | natural abundance | 90 % | |
61 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
62 | Fyn SH3 A39V/N53P/V55L | [1'-13C glucose; U-15N] | 1.2 mM | |
63 | EDTA | natural abundance | 0.2 mM | |
64 | sodium azide | natural abundance | 0.05 % | |
65 | potassium phosphate | natural abundance | 50 mM | |
66 | D2O | natural abundance | 10 % |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 59.0 % (901 of 1528) | 57.9 % (455 of 786) | 53.6 % (325 of 606) | 89.0 % (121 of 136) |
Backbone | 77.1 % (601 of 780) | 84.0 % (225 of 268) | 67.9 % (262 of 386) | 90.5 % (114 of 126) |
Sidechain | 37.1 % (323 of 870) | 44.4 % (230 of 518) | 25.1 % (86 of 342) | 70.0 % (7 of 10) |
Aromatic | 17.8 % (32 of 180) | 28.9 % (26 of 90) | 2.3 % (2 of 86) | 100.0 % (4 of 4) |
Methyl | 74.2 % (98 of 132) | 56.1 % (37 of 66) | 92.4 % (61 of 66) |
1. Fyn SH3 A39V-N53P-V55L
GAMVQISTLF EALYDYEART EDDLSFHKGE KFQILNSSEG DWWEVRSLTT GETGYIPSPY LAPVDRSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Fyn SH3 A39V/N53P/V55L | [U-15N] | 0.7 mM | |
2 | EDTA | natural abundance | 0.2 mM | |
3 | sodium azide | natural abundance | 0.05 % | |
4 | potassium phosphate | natural abundance | 50 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | Fyn SH3 A39V/N53P/V55L | [U-15N; U-2H] | 1.0 mM | |
8 | EDTA | natural abundance | 0.2 mM | |
9 | sodium azide | natural abundance | 0.05 % | |
10 | potassium phosphate | natural abundance | 50 mM | |
11 | H2O | natural abundance | 90 % | |
12 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | Fyn SH3 A39V/N53P/V55L | [U-15N; U-2H] | 0.8 mM | |
14 | EDTA | natural abundance | 0.2 mM | |
15 | sodium azide | natural abundance | 0.05 % | |
16 | potassium phosphate | natural abundance | 50 mM | |
17 | Pf1 phage | natural abundance | 24 mg/mL | |
18 | H2O | natural abundance | 90 % | |
19 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
20 | Fyn SH3 A39V/N53P/V55L | [U-15N; U-2H] | 0.5 mM | |
21 | EDTA | natural abundance | 0.2 mM | |
22 | sodium azide | natural abundance | 0.05 % | |
23 | potassium phosphate | natural abundance | 50 mM | |
24 | PEG/hexanol | natural abundance | uncertain v/v | |
25 | H2O | natural abundance | 90 % | |
26 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
27 | Fyn SH3 A39V/N53P/V55L | [U-13C; U-15N; U-2H] | 1.2 mM | |
28 | EDTA | natural abundance | 0.2 mM | |
29 | sodium azide | natural abundance | 0.05 % | |
30 | potassium phosphate | natural abundance | 50 mM | |
31 | H2O | natural abundance | 90 % | |
32 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
33 | Fyn SH3 A39V/N53P/V55L | [U-13C; U-15N; U-2H] | 0.8 mM | |
34 | EDTA | natural abundance | 0.2 mM | |
35 | sodium azide | natural abundance | 0.05 % | |
36 | potassium phosphate | natural abundance | 50 mM | |
37 | Pf1 phage | natural abundance | 36 mg/mL | |
38 | H2O | natural abundance | 90 % | |
39 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
40 | Fyn SH3 A39V/N53P/V55L | [U-13C; U-15N; U-50% 2H] | 1.0 mM | |
41 | EDTA | natural abundance | 0.2 mM | |
42 | sodium azide | natural abundance | 0.05 % | |
43 | potassium phosphate | natural abundance | 50 mM | |
44 | H2O | natural abundance | 90 % | |
45 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
46 | Fyn SH3 A39V/N53P/V55L | [U-13C; U-15N; U-50% 2H] | 1.0 mM | |
47 | EDTA | natural abundance | 0.2 mM | |
48 | sodium azide | natural abundance | 0.05 % | |
49 | potassium phosphate | natural abundance | 50 mM | |
50 | D2O | natural abundance | 100 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
51 | Fyn SH3 A39V/N53P/V55L | [2'-13C glucose; U-15N] | 1.0 mM | |
52 | EDTA | natural abundance | 0.2 mM | |
53 | sodium azide | natural abundance | 0.05 % | |
54 | potassium phosphate | natural abundance | 50 mM | |
55 | D2O | natural abundance | 100 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
56 | Fyn SH3 A39V/N53P/V55L | [1'-13C glucose; U-15N] | 1.0 mM | |
57 | EDTA | natural abundance | 0.2 mM | |
58 | sodium azide | natural abundance | 0.05 % | |
59 | potassium phosphate | natural abundance | 50 mM | |
60 | H2O | natural abundance | 90 % | |
61 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
62 | Fyn SH3 A39V/N53P/V55L | [1'-13C glucose; U-15N] | 1.2 mM | |
63 | EDTA | natural abundance | 0.2 mM | |
64 | sodium azide | natural abundance | 0.05 % | |
65 | potassium phosphate | natural abundance | 50 mM | |
66 | D2O | natural abundance | 10 % |