Structure and dynamics of the platelet integrin-binding C4 domain of von Willebrand factor
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS7:SG | 1:CYS41:SG |
2 | disulfide | sing | 1:CYS36:SG | 1:CYS78:SG |
3 | disulfide | sing | 1:CYS57:SG | 1:CYS79:SG |
4 | disulfide | sing | 1:CYS65:SG | 1:CYS84:SG |
5 | disulfide | sing | 1:CYS73:SG | 1:CYS82:SG |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 91.8 % (847 of 923) | 92.1 % (445 of 483) | 90.6 % (318 of 351) | 94.4 % (84 of 89) |
Backbone | 94.2 % (467 of 496) | 94.0 % (158 of 168) | 94.4 % (236 of 250) | 93.6 % (73 of 78) |
Sidechain | 90.7 % (460 of 507) | 91.1 % (287 of 315) | 89.5 % (162 of 181) | 100.0 % (11 of 11) |
Aromatic | 79.5 % (35 of 44) | 86.4 % (19 of 22) | 70.0 % (14 of 20) | 100.0 % (2 of 2) |
Methyl | 91.2 % (62 of 68) | 100.0 % (34 of 34) | 82.4 % (28 of 34) |
1. entity 1
GSMASACEVV TGSPRGDSQS SWKSVGSQWA SPENPCLINE CVRVKEEVFI QQRNVSCPQL EVPVCPSGFQ LSCKTSACCP SCRCESolvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 500 uM [U-13C; U-15N] von Willebrand Factor C4 domain, 20 mM sodium phosphate, 49.5 M H2O, 5.5 M D2O, 0.02 % w/v sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | von Willebrand Factor C4 domain | [U-13C; U-15N] | 500 uM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 49.5 M | |
4 | D2O | natural abundance | 5.5 M | |
5 | sodium azide | natural abundance | 0.02 % w/v |
Solvent system 100% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 500 uM [U-13C; U-15N] von Willebrand Factor C4 domain, 20 mM sodium phosphate, 55 M D2O, 5 mM H2O, 0.02 % w/v sodium azide, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | von Willebrand Factor C4 domain | [U-13C; U-15N] | 500 uM | |
7 | sodium phosphate | natural abundance | 20 mM | |
8 | H2O | natural abundance | 5 mM | |
9 | D2O | natural abundance | 55 M | |
10 | sodium azide | natural abundance | 0.02 % w/v |