Fusion construct of CR17 from LRP-1 and ApoE residues 130-149
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS9:SG | 1:CYS22:SG |
2 | disulfide | sing | 1:CYS16:SG | 1:CYS35:SG |
3 | disulfide | sing | 1:CYS29:SG | 1:CYS47:SG |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 67.5 % (765 of 1133) | 66.9 % (397 of 593) | 67.8 % (297 of 438) | 69.6 % (71 of 102) |
Backbone | 67.8 % (415 of 612) | 66.0 % (142 of 215) | 68.7 % (204 of 297) | 69.0 % (69 of 100) |
Sidechain | 68.3 % (418 of 612) | 67.5 % (255 of 378) | 69.4 % (161 of 232) | 100.0 % (2 of 2) |
Aromatic | 68.0 % (34 of 50) | 76.0 % (19 of 25) | 58.3 % (14 of 24) | 100.0 % (1 of 1) |
Methyl | 66.7 % (68 of 102) | 64.7 % (33 of 51) | 68.6 % (35 of 51) |
1. CR17
GSKLEGKTCG PSSFSCPGTH VCVPERWLCD GDKDCADGAD ESIAAGCLYN STGSGSGSGS TEELRVRLAS HLRKLRKRLL2. apoE
GSYTEELRVR LASHLRKLRK RLLSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.45, Details buffer included 50mM of both deuterated glutamic acid and deuterated arginine
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | [U-99% 2H] | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 3 mM | |
4 | CALCIUM ION | natural abundance | 5 mM | |
5 | entity_1 | [U-99% 13C; U-99% 15N] | 0.8 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.45, Details buffer included 50mM of both deuterated glutamic acid and deuterated arginine
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | HEPES | [U-99% 2H] | 20 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | sodium azide | natural abundance | 3 mM | |
11 | CALCIUM ION | natural abundance | 5 mM | |
12 | entity_1 | [U-99% 13C; U-99% 15N] | 0.8 mM | |
13 | D2O | natural abundance | 100 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.45, Details buffer included 50mM of both deuterated glutamic acid and deuterated arginine
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
14 | HEPES | [U-99% 2H] | 20 mM | |
15 | sodium chloride | natural abundance | 50 mM | |
16 | sodium azide | natural abundance | 3 mM | |
17 | CALCIUM ION | natural abundance | 5 mM | |
18 | entity_1 | [U-99% 15N] | 0.8 mM | |
19 | H2O | natural abundance | 90 % | |
20 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.45
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
21 | HEPES | [U-99% 2H] | 20 mM | |
22 | sodium chloride | natural abundance | 150 mM | |
23 | sodium azide | natural abundance | 3 mM | |
24 | EDTA | [U-99% 2H] | 2 mM | |
25 | entity_2 | [U-99% 15N] | 0.5 mM | |
26 | H2O | natural abundance | 90 % | |
27 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.45
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
28 | HEPES | [U-99% 2H] | 20 mM | |
29 | sodium chloride | natural abundance | 150 mM | |
30 | sodium azide | natural abundance | 3 mM | |
31 | EDTA | [U-99% 2H] | 2 mM | |
32 | entity_2 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
33 | H2O | natural abundance | 90 % | |
34 | D2O | natural abundance | 10 % |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 51.6 % (1170 of 2266) | 50.9 % (604 of 1186) | 52.4 % (459 of 876) | 52.5 % (107 of 204) |
Backbone | 51.4 % (629 of 1224) | 50.5 % (217 of 430) | 51.7 % (307 of 594) | 52.5 % (105 of 200) |
Sidechain | 52.6 % (644 of 1224) | 51.2 % (387 of 756) | 55.0 % (255 of 464) | 50.0 % (2 of 4) |
Aromatic | 44.0 % (44 of 100) | 50.0 % (25 of 50) | 37.5 % (18 of 48) | 50.0 % (1 of 2) |
Methyl | 58.3 % (119 of 204) | 56.9 % (58 of 102) | 59.8 % (61 of 102) |
1. CR17
GSKLEGKTCG PSSFSCPGTH VCVPERWLCD GDKDCADGAD ESIAAGCLYN STGSGSGSGS TEELRVRLAS HLRKLRKRLL2. apoE
GSYTEELRVR LASHLRKLRK RLLSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.45, Details buffer included 50mM of both deuterated glutamic acid and deuterated arginine
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | [U-99% 2H] | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 3 mM | |
4 | CALCIUM ION | natural abundance | 5 mM | |
5 | entity_1 | [U-99% 13C; U-99% 15N] | 0.8 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.45, Details buffer included 50mM of both deuterated glutamic acid and deuterated arginine
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | HEPES | [U-99% 2H] | 20 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | sodium azide | natural abundance | 3 mM | |
11 | CALCIUM ION | natural abundance | 5 mM | |
12 | entity_1 | [U-99% 13C; U-99% 15N] | 0.8 mM | |
13 | D2O | natural abundance | 100 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.45, Details buffer included 50mM of both deuterated glutamic acid and deuterated arginine
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
14 | HEPES | [U-99% 2H] | 20 mM | |
15 | sodium chloride | natural abundance | 50 mM | |
16 | sodium azide | natural abundance | 3 mM | |
17 | CALCIUM ION | natural abundance | 5 mM | |
18 | entity_1 | [U-99% 15N] | 0.8 mM | |
19 | H2O | natural abundance | 90 % | |
20 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.45
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
21 | HEPES | [U-99% 2H] | 20 mM | |
22 | sodium chloride | natural abundance | 150 mM | |
23 | sodium azide | natural abundance | 3 mM | |
24 | EDTA | [U-99% 2H] | 2 mM | |
25 | entity_2 | [U-99% 15N] | 0.5 mM | |
26 | H2O | natural abundance | 90 % | |
27 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.45
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
28 | HEPES | [U-99% 2H] | 20 mM | |
29 | sodium chloride | natural abundance | 150 mM | |
30 | sodium azide | natural abundance | 3 mM | |
31 | EDTA | [U-99% 2H] | 2 mM | |
32 | entity_2 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
33 | H2O | natural abundance | 90 % | |
34 | D2O | natural abundance | 10 % |