Solution NMR structure of a novel cysteine framework containing Conus peptide Mo3964
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS4:SG | 1:CYS21:SG |
2 | disulfide | sing | 1:CYS11:SG | 1:CYS27:SG |
3 | disulfide | sing | 1:CYS12:SG | 1:CYS34:SG |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 98.2 % (374 of 381) | 97.0 % (195 of 201) | 100.0 % (144 of 144) | 97.2 % (35 of 36) |
Backbone | 99.1 % (212 of 214) | 98.6 % (73 of 74) | 100.0 % (107 of 107) | 97.0 % (32 of 33) |
Sidechain | 97.5 % (195 of 200) | 96.1 % (122 of 127) | 100.0 % (70 of 70) | 100.0 % (3 of 3) |
Aromatic | 100.0 % (12 of 12) | 100.0 % (6 of 6) | 100.0 % (5 of 5) | 100.0 % (1 of 1) |
Methyl | 100.0 % (20 of 20) | 100.0 % (10 of 10) | 100.0 % (10 of 10) |
1. Mo3964
DGECGDKDEP CCGRPDGAKV CNDPWVCILT SSRCENPSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.35 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Mo3964 | [U-13C; U-15N] | 0.5 ~ 1.0 mM | |
2 | sodium azide | natural abundance | 0.02 % | |
3 | sodium acetate | [U-100% 2H] | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | [U-100% 2H] | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.35 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | Mo3964 | [U-15N] | 0.5 ~ 1.0 mM | |
7 | sodium azide | natural abundance | 0.02 % | |
8 | sodium acetate | [U-100% 2H] | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | [U-100% 2H] | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.35 (±0.05), Details pH was 5.35 without the isotope correction
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | Mo3964 | [U-13C; U-15N] | 0.5 ~ 1.0 mM | |
12 | sodium azide | natural abundance | 0.02 % | |
13 | sodium acetate | [U-100% 2H] | 50 mM | |
14 | D2O | [U-100% 2H] | 100 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.35 (±0.05), Details pH was 5.35 without the isotope correction
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
15 | Mo3964 | [U-15N] | 0.5 ~ 1.0 mM | |
16 | sodium azide | natural abundance | 0.02 % | |
17 | sodium acetate | [U-100% 2H] | 50 mM | |
18 | D2O | [U-100% 2H] | 100 % |