Solution structure of the insecticidal spider-venom peptide Aps III
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS2:SG | 1:CYS16:SG |
2 | disulfide | sing | 1:CYS9:SG | 1:CYS20:SG |
3 | disulfide | sing | 1:CYS15:SG | 1:CYS36:SG |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 97.6 % (365 of 374) | 98.4 % (189 of 192) | 97.1 % (136 of 140) | 95.2 % (40 of 42) |
Backbone | 96.5 % (218 of 226) | 97.6 % (80 of 82) | 96.3 % (103 of 107) | 94.6 % (35 of 37) |
Sidechain | 99.4 % (178 of 179) | 99.1 % (109 of 110) | 100.0 % (64 of 64) | 100.0 % (5 of 5) |
Aromatic | 100.0 % (28 of 28) | 100.0 % (14 of 14) | 100.0 % (13 of 13) | 100.0 % (1 of 1) |
Methyl | 100.0 % (18 of 18) | 100.0 % (9 of 9) | 100.0 % (9 of 9) |
1. As1a
SCNSKGTPCT NADECCGGKC AYNVWNCIGG GCSKTCGYSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | As1a | [U-100% 13C; U-100% 15N] | 450 uM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | As1a | [U-100% 13C; U-100% 15N] | 450 uM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | D2O | natural abundance | 100 % |