Role of backbone dynamics and structure in controlling the hydrolysis constants of serine proteinase inhibitors
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 0:CYS8:SG | 2:CYS20:SG |
2 | disulfide | sing | 0:CYS16:SG | 2:CYS17:SG |
3 | disulfide | sing | 0:CYS6:SG | 2:CYS38:SG |
Polymer type: polypeptide(L)
Total | 1H | 15N | |
---|---|---|---|
All | 8.4 % (31 of 371) | 4.8 % (15 of 313) | 27.6 % (16 of 58) |
Backbone | 18.7 % (31 of 166) | 13.3 % (15 of 113) | 30.2 % (16 of 53) |
Sidechain | 0.0 % (0 of 205) | 0.0 % (0 of 200) | 0.0 % (0 of 5) |
Aromatic | 0.0 % (0 of 24) | 0.0 % (0 of 24) | |
Methyl | 0.0 % (0 of 26) | 0.0 % (0 of 26) |
1. Ovomucoid Third Domain from Turkey
LAAVSVDCSE YPKPACTL2. Ovomucoid Third Domain from Turkey
EYRPLCGSDN KTYGNKCNFC NAVVESNGTL TLSHFGKCTemperature 298 (±1) K, pH 6.0 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ovomucoid Third Domain from Turkey | [U-13C; U-15N] | 2 mM | |
2 | Ovomucoid Third Domain from Turkey | [U-13C; U-15N] | 2 mM |
Polymer type: polypeptide(L)
Total | 1H | 15N | |
---|---|---|---|
All | 15.0 % (111 of 742) | 9.1 % (57 of 626) | 46.6 % (54 of 116) |
Backbone | 31.6 % (105 of 332) | 23.0 % (52 of 226) | 50.0 % (53 of 106) |
Sidechain | 1.5 % (6 of 410) | 1.3 % (5 of 400) | 10.0 % (1 of 10) |
Aromatic | 0.0 % (0 of 48) | 0.0 % (0 of 48) | |
Methyl | 0.0 % (0 of 52) | 0.0 % (0 of 52) |
1. Ovomucoid Third Domain from Turkey
LAAVSVDCSE YPKPACTL2. Ovomucoid Third Domain from Turkey
EYRPLCGSDN KTYGNKCNFC NAVVESNGTL TLSHFGKCTemperature 298 (±1) K, pH 6.0 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ovomucoid Third Domain from Turkey | [U-13C; U-15N] | 2 mM | |
2 | Ovomucoid Third Domain from Turkey | [U-13C; U-15N] | 2 mM |