Solution structure of AcaTx1, a potassium channel inhibitor from the sea anemone Antopleura cascaia
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS1:SG | 1:CYS15:SG |
2 | disulfide | sing | 1:CYS8:SG | 1:CYS20:SG |
3 | disulfide | sing | 1:CYS14:SG | 1:CYS26:SG |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 79.9 % (254 of 318) | 90.2 % (147 of 163) | 67.2 % (82 of 122) | 75.8 % (25 of 33) |
Backbone | 78.6 % (151 of 192) | 92.9 % (65 of 70) | 68.9 % (62 of 90) | 75.0 % (24 of 32) |
Sidechain | 80.3 % (122 of 152) | 88.2 % (82 of 93) | 67.2 % (39 of 58) | 100.0 % (1 of 1) |
Aromatic | 66.7 % (24 of 36) | 72.2 % (13 of 18) | 58.8 % (10 of 17) | 100.0 % (1 of 1) |
Methyl | 75.0 % (9 of 12) | 100.0 % (6 of 6) | 50.0 % (3 of 6) |
1. entity 1
CGGAGAKCST KSDCCSGLWC SGSGHCYHRR YTSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 150 uM [U-99% 13C; U-99% 15N] AcaTx1, 20 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | AcaTx1 | [U-99% 13C; U-99% 15N] | 150 uM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 150 uM [U-99% 15N] AcaTx1, 20 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | AcaTx1 | [U-99% 15N] | 150 uM | |
5 | sodium phosphate | natural abundance | 20 mM | |
6 | sodium chloride | natural abundance | 50 mM |