Solution structure of ShK-like immunomodulatory peptide from Brugia malayi (filarial worm)
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS2:SG | 1:CYS36:SG |
2 | disulfide | sing | 1:CYS9:SG | 1:CYS29:SG |
3 | disulfide | sing | 1:CYS18:SG | 1:CYS33:SG |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 85.6 % (357 of 417) | 90.4 % (197 of 218) | 76.1 % (121 of 159) | 97.5 % (39 of 40) |
Backbone | 82.2 % (176 of 214) | 95.9 % (71 of 74) | 67.6 % (71 of 105) | 97.1 % (34 of 35) |
Sidechain | 90.7 % (214 of 236) | 87.5 % (126 of 144) | 95.4 % (83 of 87) | 100.0 % (5 of 5) |
Aromatic | 93.8 % (45 of 48) | 100.0 % (24 of 24) | 87.0 % (20 of 23) | 100.0 % (1 of 1) |
Methyl | 80.0 % (16 of 20) | 70.0 % (7 of 10) | 90.0 % (9 of 10) |
1. ShK-like peptide
VCEDLNAHCE MWQQLGHCQY SPKYMGHYCK KACGLCXSolvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ShK-like_peptide | natural abundance | 0.8 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | D2O | natural abundance | 100 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | ShK-like_peptide | natural abundance | 0.8 mM | |
5 | sodium phosphate | natural abundance | 10 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |