Backbone 1H,13C, and 15N chemical shift assignments for rabbitpox encoded viral chemokine inhibitor (vCCI)
MPASLQQSSS SSSSCTEEEN KHHMGIDVII KVTKQDQTPT NDKICQSVTE ITESESDPDP EVESEDDSTS VEDVDPPTTY YSIIGGGLRM NFGFTKCPQI KSISESADGN TVNARLSSVS PGQGKDSPAI THEEALAMIK DCEVSIDIRC SEEEKDSDIK THPVLGSNIS HKKVSYEDII GSTIVDTKCV KNLEFSVRIG DMCKESSELE VKDGFKYVDG SASKGATDDT SLIDSTKLKA CV
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS15:SG | 1:CYS203:SG |
2 | disulfide | sing | 1:CYS45:SG | 1:CYS241:SG |
3 | disulfide | sing | 1:CYS97:SG | 1:CYS142:SG |
4 | disulfide | sing | 1:CYS150:SG | 1:CYS189:SG |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 44.3 % (1169 of 2636) | 24.1 % (329 of 1366) | 62.0 % (635 of 1024) | 83.3 % (205 of 246) |
Backbone | 72.6 % (1039 of 1432) | 47.7 % (233 of 488) | 84.8 % (604 of 712) | 87.1 % (202 of 232) |
Sidechain | 23.3 % (334 of 1432) | 10.9 % (96 of 878) | 43.5 % (235 of 540) | 21.4 % (3 of 14) |
Aromatic | 0.0 % (0 of 92) | 0.0 % (0 of 46) | 0.0 % (0 of 46) | |
Methyl | 23.1 % (55 of 238) | 19.3 % (23 of 119) | 26.9 % (32 of 119) |
1. vCCI
MPASLQQSSS SSSSCTEEEN KHHMGIDVII KVTKQDQTPT NDKICQSVTE ITESESDPDP EVESEDDSTS VEDVDPPTTY YSIIGGGLRM NFGFTKCPQI KSISESADGN TVNARLSSVS PGQGKDSPAI THEEALAMIK DCEVSIDIRC SEEEKDSDIK THPVLGSNIS HKKVSYEDII GSTIVDTKCV KNLEFSVRIG DMCKESSELE VKDGFKYVDG SASKGATDDT SLIDSTKLKA CVTemperature 310 (±0.1) K, pH 7.0 (±0.1), Details unbound vCCI
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | vCCI | [U-2H; U-15N; U-13C] | protein | 2 mM |
2 | NaCl | salt | 100 (±10.0) mM | |
3 | Phosphate Buffer | buffer | 20 mM |