High resolution NMR solution structure of the theta-defensin RTD-1
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS3:SG | 1:CYS16:SG |
2 | disulfide | sing | 1:CYS5:SG | 1:CYS14:SG |
3 | disulfide | sing | 1:CYS7:SG | 1:CYS12:SG |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 69.7 % (140 of 201) | 81.3 % (87 of 107) | 53.9 % (41 of 76) | 66.7 % (12 of 18) |
Backbone | 77.8 % (84 of 108) | 100.0 % (38 of 38) | 65.4 % (34 of 52) | 66.7 % (12 of 18) |
Sidechain | 66.1 % (72 of 109) | 71.0 % (49 of 69) | 57.5 % (23 of 40) | |
Aromatic | 0.0 % (0 of 10) | 0.0 % (0 of 5) | 0.0 % (0 of 5) | |
Methyl | 57.1 % (8 of 14) | 100.0 % (7 of 7) | 14.3 % (1 of 7) |
1. RTD-1
GFCRCLCRRG VCRCICTRSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.0 (±1.0), Details 1.0 mM, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RTD-1 | natural abundance | 1.0 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 4.0 (±1.0), Details 1.0 mM, pH 3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | RTD-1 | natural abundance | 1.0 mM | |
5 | D2O | natural abundance | 100 % |