Structure of PsDef1 defensin from Pinus sylvestris
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS14:SG | 1:CYS34:SG |
2 | disulfide | sing | 1:CYS20:SG | 1:CYS43:SG |
3 | disulfide | sing | 1:CYS24:SG | 1:CYS45:SG |
4 | disulfide | sing | 1:CYS3:SG | 1:CYS49:SG |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 95.6 % (546 of 571) | 99.3 % (300 of 302) | 90.0 % (197 of 219) | 98.0 % (49 of 50) |
Backbone | 96.2 % (281 of 292) | 99.0 % (100 of 101) | 93.8 % (136 of 145) | 97.8 % (45 of 46) |
Sidechain | 95.7 % (310 of 324) | 99.5 % (200 of 201) | 89.1 % (106 of 119) | 100.0 % (4 of 4) |
Aromatic | 79.3 % (46 of 58) | 100.0 % (29 of 29) | 58.6 % (17 of 29) | |
Methyl | 100.0 % (22 of 22) | 100.0 % (11 of 11) | 100.0 % (11 of 11) |
1. entity 1
RMCKTPSGKF KGYCVNNTNC KNVCRTEGFP TGSCDFHVAG RKCYCYKPCPSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 306 K, pH 4.5 (±0.1), Details 0.4 mM PsDef1, 10 mM sodium acetate, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PsDef1 | natural abundance | 0.4 mM | |
2 | sodium acetate | natural abundance | 10 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 306 K, pH 4.5 (±0.1), Details 0.7 mM [U-15N] PsDef1, 10 mM sodium acetate, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | PsDef1 | [U-15N] | 0.7 mM | |
4 | sodium acetate | natural abundance | 10 mM |