Solution structure of a Eosinophil Cationic Protein-trisaccharide heparin mimetic complex
RPPQFTRAQW FAIQHISLNP PRCTIAMRAI NNYRWRCKNQ NTFLRTTFAN VVNVCGNQSI RCPHNRTLNN CHRSRFRVPL LHCDLINPGA QNISNCRYAD RPGRRFYVVA CDNRDPRDSP RYPVVPVHLD TTI
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS23:SG | 1:CYS83:SG |
2 | disulfide | sing | 1:CYS37:SG | 1:CYS96:SG |
3 | disulfide | sing | 1:CYS55:SG | 1:CYS111:SG |
4 | disulfide | sing | 1:CYS62:SG | 1:CYS71:SG |
Polymer type: polypeptide(L) polysaccharide(D)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 86.8 % (1377 of 1587) | 95.3 % (798 of 837) | 72.6 % (440 of 606) | 96.5 % (139 of 144) |
Backbone | 85.1 % (659 of 774) | 99.6 % (256 of 257) | 71.5 % (283 of 396) | 99.2 % (120 of 121) |
Sidechain | 89.9 % (848 of 943) | 93.4 % (542 of 580) | 84.4 % (287 of 340) | 82.6 % (19 of 23) |
Aromatic | 60.3 % (82 of 136) | 91.2 % (62 of 68) | 27.3 % (18 of 66) | 100.0 % (2 of 2) |
Methyl | 98.4 % (126 of 128) | 98.4 % (63 of 64) | 98.4 % (63 of 64) |
1. Eosinophil Cationic Protein
RPPQFTRAQW FAIQHISLNP PRCTIAMRAI NNYRWRCKNQ NTFLRTTFAN VVNVCGNQSI RCPHNRTLNN CHRSRFRVPL LHCDLINPGA QNISNCRYAD RPGRRFYVVA CDNRDPRDSP RYPVVPVHLD TTISolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 4.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Eosinophil_Cationic_Protein | [U-13C; U-15N] | 0.5 mM | |
2 | Heparin (3-MER) | natural abundance | 0.5 mM | |
3 | potassium phosphate | natural abundance | 100 mM | |
4 | potassium chloride | natural abundance | 300 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |