Inseparable mixture of cytotoxins 2 and 3 Naja kaouthia in major and minor forms
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS3:SG | 1:CYS21:SG |
2 | disulfide | sing | 1:CYS14:SG | 1:CYS38:SG |
3 | disulfide | sing | 1:CYS42:SG | 1:CYS53:SG |
4 | disulfide | sing | 1:CYS54:SG | 1:CYS59:SG |
5 | disulfide | sing | 2:CYS3:SG | 2:CYS21:SG |
6 | disulfide | sing | 2:CYS14:SG | 2:CYS38:SG |
7 | disulfide | sing | 2:CYS42:SG | 2:CYS53:SG |
8 | disulfide | sing | 2:CYS54:SG | 2:CYS59:SG |
9 | disulfide | sing | 2:CYS3:SG | 2:CYS21:SG |
10 | disulfide | sing | 2:CYS14:SG | 2:CYS38:SG |
11 | disulfide | sing | 2:CYS42:SG | 2:CYS53:SG |
12 | disulfide | sing | 2:CYS54:SG | 2:CYS59:SG |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 46.5 % (666 of 1432) | 52.1 % (392 of 752) | 38.0 % (210 of 552) | 50.0 % (64 of 128) |
Backbone | 45.5 % (320 of 704) | 53.4 % (126 of 236) | 37.4 % (133 of 356) | 54.5 % (61 of 112) |
Sidechain | 47.2 % (398 of 844) | 50.8 % (262 of 516) | 42.9 % (134 of 312) | 12.5 % (2 of 16) |
Aromatic | 25.0 % (17 of 68) | 50.0 % (17 of 34) | 0.0 % (0 of 34) | |
Methyl | 49.2 % (64 of 130) | 53.8 % (35 of 65) | 44.6 % (29 of 65) |
1. CT3nk
LKCNKLIPLA YKTCPAGKNL CYKMFMVSNK TVPVKRGCID ACPKNSLLVK YVCCNTDRCN2. CT2nk
LKCNKLIPLA YKTCPAGKNL CYKMFMVSNK TVPVKRGCID VCPKNSLLVK YVCCNTDRCNSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 (±1) K, pH 4.0 (±0.05), Details Inseparable mixture of two cytotoxins in two forms
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CT3nk_minor | natural abundance | 0.6 (±0.1) mM | |
2 | CT2nk_major | natural abundance | 2 (±0.3) mM | |
3 | CT2nk_minor | natural abundance | 0.4 (±0.1) mM |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 41.5 % (1189 of 2864) | 49.7 % (748 of 1504) | 31.0 % (342 of 1104) | 38.7 % (99 of 256) |
Backbone | 39.4 % (555 of 1408) | 51.5 % (243 of 472) | 30.5 % (217 of 712) | 42.4 % (95 of 224) |
Sidechain | 42.8 % (723 of 1688) | 48.5 % (501 of 1032) | 35.1 % (219 of 624) | 9.4 % (3 of 32) |
Aromatic | 21.3 % (29 of 136) | 42.6 % (29 of 68) | 0.0 % (0 of 68) | |
Methyl | 45.8 % (119 of 260) | 52.3 % (68 of 130) | 39.2 % (51 of 130) |
1. CT3nk
LKCNKLIPLA YKTCPAGKNL CYKMFMVSNK TVPVKRGCID ACPKNSLLVK YVCCNTDRCN2. CT2nk
LKCNKLIPLA YKTCPAGKNL CYKMFMVSNK TVPVKRGCID VCPKNSLLVK YVCCNTDRCNSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 (±1) K, pH 4.0 (±0.05), Details Inseparable mixture of two cytotoxins in two forms
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CT3nk_minor | natural abundance | 0.6 (±0.1) mM | |
2 | CT2nk_major | natural abundance | 2 (±0.3) mM | |
3 | CT2nk_minor | natural abundance | 0.4 (±0.1) mM |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 40.7 % (1747 of 4296) | 48.9 % (1104 of 2256) | 30.2 % (500 of 1656) | 37.2 % (143 of 384) |
Backbone | 38.4 % (811 of 2112) | 50.8 % (360 of 708) | 29.4 % (314 of 1068) | 40.8 % (137 of 336) |
Sidechain | 42.3 % (1070 of 2532) | 47.8 % (740 of 1548) | 34.7 % (325 of 936) | 10.4 % (5 of 48) |
Aromatic | 20.1 % (41 of 204) | 40.2 % (41 of 102) | 0.0 % (0 of 102) | |
Methyl | 47.2 % (184 of 390) | 52.3 % (102 of 195) | 42.1 % (82 of 195) |
1. CT3nk
LKCNKLIPLA YKTCPAGKNL CYKMFMVSNK TVPVKRGCID ACPKNSLLVK YVCCNTDRCN2. CT2nk
LKCNKLIPLA YKTCPAGKNL CYKMFMVSNK TVPVKRGCID VCPKNSLLVK YVCCNTDRCNSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 (±1) K, pH 4.0 (±0.05), Details Inseparable mixture of two cytotoxins in two forms
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CT3nk_minor | natural abundance | 0.6 (±0.1) mM | |
2 | CT2nk_major | natural abundance | 2 (±0.3) mM | |
3 | CT2nk_minor | natural abundance | 0.4 (±0.1) mM |