Solution structure of Blo t 19, a minor dust mite allergen from Blomia tropicalis.
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS9:SG | 1:CYS40:SG |
2 | disulfide | sing | 1:CYS26:SG | 1:CYS49:SG |
3 | disulfide | sing | 1:CYS30:SG | 1:CYS51:SG |
4 | disulfide | sing | 1:CYS35:SG | 1:CYS54:SG |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 98.8 % (681 of 689) | 99.4 % (357 of 359) | 98.1 % (253 of 258) | 98.6 % (71 of 72) |
Backbone | 98.5 % (396 of 402) | 99.3 % (144 of 145) | 97.9 % (188 of 192) | 98.5 % (64 of 65) |
Sidechain | 99.4 % (341 of 343) | 99.5 % (213 of 214) | 99.2 % (121 of 122) | 100.0 % (7 of 7) |
Aromatic | 94.4 % (34 of 36) | 94.4 % (17 of 18) | 94.1 % (16 of 17) | 100.0 % (1 of 1) |
Methyl | 100.0 % (44 of 44) | 100.0 % (22 of 22) | 100.0 % (22 of 22) |
1. Blo t 19
GSALDFTSCA RMNDGALGAK VAQAACISSC KFQNCGTGHC ERRGGRPTCV CSRCGNGGGE WPNLPSRGSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 13C, 15N Blo t 19
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Blo t 19 | [U-100% 13C; U-100% 15N] | 1 (±0.05) mM | |
2 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±1.0) mM | |
4 | H2O | natural abundance | 90 (±1.0) % | |
5 | D2O | natural abundance | 10 (±1.0) % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 15N Blo t 19
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | Blo t 19 | [U-100% 15N] | 1 (±0.05) mM | |
7 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
8 | sodium chloride | natural abundance | 100 (±1.0) mM | |
9 | H2O | natural abundance | 90 (±1.0) % | |
10 | D2O | natural abundance | 10 (±1.0) % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details Blo t 19
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | Blo t 19 | natural abundance | 1 (±0.05) mM | |
12 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
13 | sodium chloride | natural abundance | 100 (±1.0) mM | |
14 | H2O | natural abundance | 90 (±1.0) % | |
15 | D2O | natural abundance | 10 (±1.0) % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 15N Blo t 19 in Pf1 phage alignment medium.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | Blo t 19 | [U-100% 15N] | 1 (±0.05) mM | |
17 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
18 | sodium chloride | natural abundance | 100 (±1.0) mM | |
19 | Pf1 phage | natural abundance | 15 (±0.1) mg/mL | |
20 | H2O | natural abundance | 90 (±0.1) % | |
21 | D2O | natural abundance | 10 (±0.1) % |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 55.5 % (765 of 1378) | 54.9 % (394 of 718) | 55.8 % (288 of 516) | 57.6 % (83 of 144) |
Backbone | 56.7 % (456 of 804) | 55.5 % (161 of 290) | 57.3 % (220 of 384) | 57.7 % (75 of 130) |
Sidechain | 54.5 % (374 of 686) | 54.4 % (233 of 428) | 54.5 % (133 of 244) | 57.1 % (8 of 14) |
Aromatic | 52.8 % (38 of 72) | 52.8 % (19 of 36) | 50.0 % (17 of 34) | 100.0 % (2 of 2) |
Methyl | 54.5 % (48 of 88) | 54.5 % (24 of 44) | 54.5 % (24 of 44) |
1. Blo t 19
GSALDFTSCA RMNDGALGAK VAQAACISSC KFQNCGTGHC ERRGGRPTCV CSRCGNGGGE WPNLPSRGSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 13C, 15N Blo t 19
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Blo t 19 | [U-100% 13C; U-100% 15N] | 1 (±0.05) mM | |
2 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±1.0) mM | |
4 | H2O | natural abundance | 90 (±1.0) % | |
5 | D2O | natural abundance | 10 (±1.0) % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 15N Blo t 19
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | Blo t 19 | [U-100% 15N] | 1 (±0.05) mM | |
7 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
8 | sodium chloride | natural abundance | 100 (±1.0) mM | |
9 | H2O | natural abundance | 90 (±1.0) % | |
10 | D2O | natural abundance | 10 (±1.0) % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details Blo t 19
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | Blo t 19 | natural abundance | 1 (±0.05) mM | |
12 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
13 | sodium chloride | natural abundance | 100 (±1.0) mM | |
14 | H2O | natural abundance | 90 (±1.0) % | |
15 | D2O | natural abundance | 10 (±1.0) % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 15N Blo t 19 in Pf1 phage alignment medium.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | Blo t 19 | [U-100% 15N] | 1 (±0.05) mM | |
17 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
18 | sodium chloride | natural abundance | 100 (±1.0) mM | |
19 | Pf1 phage | natural abundance | 15 (±0.1) mg/mL | |
20 | H2O | natural abundance | 90 (±0.1) % | |
21 | D2O | natural abundance | 10 (±0.1) % |