NMR structure of the Littorina littorea metallothionein, a snail MT folding into three distinct domains
GSMSSVFGAG CTDTCKQTPC GCGSGCNCKE DCRCQSCKYG AGCTDVCKQT PCGCATSGCN CTDDCKCQSC STACKCAAGS CKCGKGCTGP DSCKCDRSCS CK
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | na | sing | 1:CYS11:SG | 2:CD1:CD |
2 | na | sing | 1:CYS15:SG | 2:CD1:CD |
3 | na | sing | 1:CYS28:SG | 2:CD1:CD |
4 | na | sing | 1:CYS32:SG | 2:CD1:CD |
5 | na | sing | 1:CYS15:SG | 2:CD1:CD |
6 | na | sing | 1:CYS20:SG | 2:CD1:CD |
7 | na | sing | 1:CYS34:SG | 2:CD1:CD |
8 | na | sing | 1:CYS37:SG | 2:CD1:CD |
9 | na | sing | 1:CYS22:SG | 2:CD1:CD |
10 | na | sing | 1:CYS26:SG | 2:CD1:CD |
11 | na | sing | 1:CYS28:SG | 2:CD1:CD |
12 | na | sing | 1:CYS37:SG | 2:CD1:CD |
13 | na | sing | 1:CYS43:SG | 2:CD1:CD |
14 | na | sing | 1:CYS47:SG | 2:CD1:CD |
15 | na | sing | 1:CYS61:SG | 2:CD1:CD |
16 | na | sing | 1:CYS65:SG | 2:CD1:CD |
17 | na | sing | 1:CYS47:SG | 2:CD1:CD |
18 | na | sing | 1:CYS52:SG | 2:CD1:CD |
19 | na | sing | 1:CYS67:SG | 2:CD1:CD |
20 | na | sing | 1:CYS70:SG | 2:CD1:CD |
21 | na | sing | 1:CYS54:SG | 2:CD1:CD |
22 | na | sing | 1:CYS59:SG | 2:CD1:CD |
23 | na | sing | 1:CYS61:SG | 2:CD1:CD |
24 | na | sing | 1:CYS70:SG | 2:CD1:CD |
25 | na | sing | 1:CYS76:SG | 2:CD1:CD |
26 | na | sing | 1:CYS81:SG | 2:CD1:CD |
27 | na | sing | 1:CYS83:SG | 2:CD1:CD |
28 | na | sing | 1:CYS87:SG | 2:CD1:CD |
29 | na | sing | 1:CYS87:SG | 2:CD1:CD |
30 | na | sing | 1:CYS93:SG | 2:CD1:CD |
31 | na | sing | 1:CYS95:SG | 2:CD1:CD |
32 | na | sing | 1:CYS99:SG | 2:CD1:CD |
33 | na | sing | 1:CYS74:SG | 2:CD1:CD |
34 | na | sing | 1:CYS76:SG | 2:CD1:CD |
35 | na | sing | 1:CYS83:SG | 2:CD1:CD |
36 | na | sing | 1:CYS101:SG | 2:CD1:CD |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 83.7 % (811 of 969) | 92.6 % (466 of 503) | 67.9 % (245 of 361) | 95.2 % (100 of 105) |
Backbone | 79.9 % (484 of 606) | 94.4 % (203 of 215) | 64.0 % (187 of 292) | 94.9 % (94 of 99) |
Sidechain | 90.9 % (410 of 451) | 91.3 % (263 of 288) | 89.8 % (141 of 157) | 100.0 % (6 of 6) |
Aromatic | 0.0 % (0 of 18) | 0.0 % (0 of 9) | 0.0 % (0 of 9) | |
Methyl | 100.0 % (38 of 38) | 100.0 % (19 of 19) | 100.0 % (19 of 19) |
1. domain-swapped metallothionein from Littorina Littorea
GSMSSVFGAG CTDTCKQTPC GCGSGCNCKE DCRCQSCKYG AGCTDVCKQT PCGCATSGCN CTDDCKCQSC STACKCAAGS CKCGKGCTGP DSCKCDRSCS CKSolvent system 90% H2O/10% D2O, Pressure 1 (±0.1) atm, Temperature 298 (±0.2) K, pH 7.0 (±0.1), Details 0.5 mM [U-99% 13C; U-99% 15N] ds-LlMT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ds-LlMT | [U-99% 13C; U-99% 15N] | 0.5 (±0.1) mM | |
2 | TRIS | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 (±0.1) atm, Temperature 298 (±0.2) K, pH 7.0 (±0.1), Details 0.5 mM [U-99% 15N] ds-LlMT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | ds-LlMT | [U-99% 15N] | 0.5 (±0.1) mM | |
6 | TRIS | natural abundance | 20 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |