The C-terminal Region of Disintegrin Modulate its 3D Conformation and Cooperate with RGD Loop in Regulating Recognitions of Integrins
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS12:SG | 1:CYS27:SG |
2 | disulfide | sing | 1:CYS14:SG | 1:CYS22:SG |
3 | disulfide | sing | 1:CYS21:SG | 1:CYS44:SG |
4 | disulfide | sing | 1:CYS35:SG | 1:CYS41:SG |
5 | disulfide | sing | 1:CYS40:SG | 1:CYS65:SG |
6 | disulfide | sing | 1:CYS53:SG | 1:CYS72:SG |
Polymer type: polypeptide(L)
Total | 1H | 15N | |
---|---|---|---|
All | 83.0 % (435 of 524) | 82.4 % (364 of 442) | 86.6 % (71 of 82) |
Backbone | 89.5 % (213 of 238) | 89.6 % (146 of 163) | 89.3 % (67 of 75) |
Sidechain | 77.6 % (222 of 286) | 78.1 % (218 of 279) | 57.1 % (4 of 7) |
Aromatic | 42.4 % (14 of 33) | 43.8 % (14 of 32) | 0.0 % (0 of 1) |
Methyl | 100.0 % (18 of 18) | 100.0 % (18 of 18) |
1. rhodostomin
EFHHHHHHGK ECDCSSPENP CCDAATCKLR PGAQCGEGLC CEQCKFSRAG KICRIARGDW NDDRCTGQSA DCPRNGLYGSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details 2mM Rhodostomin 48ARGDWN-67NGLYG mutant
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rhodostomin 48ARGDWN-67NGLYG mutant | natural abundance | 2 mM |
Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details 2mM Rhodostomin 48ARGDWN-67NGLYG mutant
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | Rhodostomin 48ARGDWN-67NGLYG mutant | natural abundance | 2 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details 2mM Rhodostomin 48ARGDWN-67NGLYG mutant
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | Rhodostomin 48ARGDWN-67NGLYG mutant | [U-15N] | 2 mM |
Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details 2mM Rhodostomin 48ARGDWN-67NGLYG mutant
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | Rhodostomin 48ARGDWN-67NGLYG mutant | [U-15N] | 2 mM |