NMR solution structure of a triazole bridged KLK7 inhibitor
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | covalent | sing | 1:ALA3:CB | 2:WMH1:C |
2 | covalent | sing | 1:ALA11:CB | 2:WMH1:C1 |
3 | covalent | sing | 1:GLY1:N | 1:ASN14:C |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 82.0 % (137 of 167) | 93.2 % (82 of 88) | 63.6 % (42 of 66) | 100.0 % (13 of 13) |
Backbone | 82.1 % (64 of 78) | 100.0 % (26 of 26) | 65.9 % (27 of 41) | 100.0 % (11 of 11) |
Sidechain | 84.3 % (86 of 102) | 90.3 % (56 of 62) | 73.7 % (28 of 38) | 100.0 % (2 of 2) |
Aromatic | 20.0 % (4 of 20) | 40.0 % (4 of 10) | 0.0 % (0 of 10) | |
Methyl | 100.0 % (12 of 12) | 100.0 % (6 of 6) | 100.0 % (6 of 6) |
1. entity 1
GKALFSNPPI AFPNSolvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 298 K, pH 3.5, Details 1.5 mM DR12, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DR12 | natural abundance | 1.5 (±0.2) mM |