Solution NMR structure of the Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense. Northeast Structural Genomics Consortium Target DhR8C.
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 89.0 % (752 of 845) | 90.2 % (395 of 438) | 86.5 % (288 of 333) | 93.2 % (69 of 74) |
Backbone | 91.5 % (386 of 422) | 93.8 % (137 of 146) | 89.4 % (185 of 207) | 92.8 % (64 of 69) |
Sidechain | 87.3 % (426 of 488) | 88.4 % (258 of 292) | 85.3 % (163 of 191) | 100.0 % (5 of 5) |
Aromatic | 50.0 % (28 of 56) | 50.0 % (14 of 28) | 50.0 % (14 of 28) | |
Methyl | 91.7 % (88 of 96) | 91.7 % (44 of 48) | 91.7 % (44 of 48) |
1. Q251Q8 DESHY
MDNRQFLSLT GVSKVQSFDP KEILLETIQG VLSIKGEKLG IKHLDLKAGQ VEVEGLIDAL VYPLEHHHHH HSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-5% 13C; U-100% 15N] | 1 (±0.09) mM | |
10 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
11 | sodium chloride | natural abundance | 200 (±10.0) mM | |
12 | calcium chloride | natural abundance | 5 (±0.2) mM | |
13 | DTT | natural abundance | 10 (±0.5) mM | |
14 | sodium azide | natural abundance | 0.02 (±0.001) % | |
15 | H2O | natural abundance | 90 % | |
16 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
17 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
18 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
19 | sodium chloride | natural abundance | 200 (±10.0) mM | |
20 | calcium chloride | natural abundance | 5 (±0.2) mM | |
21 | DTT | natural abundance | 10 (±0.5) mM | |
22 | sodium azide | natural abundance | 0.02 (±0.001) % | |
23 | D2O | natural abundance | 100 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1), Details mixture of DhR8C-NC and DhR8C-LB at a ratio 1:1(mM:mM).
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
24 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-100% 13C; U-100% 15N] | 0.5 (±0.1) mM | |
25 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | natural abundance | 0.5 (±0.1) mM | |
26 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
27 | sodium chloride | natural abundance | 200 (±10.0) mM | |
28 | calcium chloride | natural abundance | 5 (±0.2) mM | |
29 | DTT | natural abundance | 10 (±0.5) mM | |
30 | sodium azide | natural abundance | 0.02 (±0.001) % | |
31 | H2O | natural abundance | 90 % | |
32 | D2O | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-5% 13C; U-100% 15N] | 1 (±0.09) mM | |
10 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
11 | sodium chloride | natural abundance | 200 (±10.0) mM | |
12 | calcium chloride | natural abundance | 5 (±0.2) mM | |
13 | DTT | natural abundance | 10 (±0.5) mM | |
14 | sodium azide | natural abundance | 0.02 (±0.001) % | |
15 | H2O | natural abundance | 90 % | |
16 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
17 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
18 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
19 | sodium chloride | natural abundance | 200 (±10.0) mM | |
20 | calcium chloride | natural abundance | 5 (±0.2) mM | |
21 | DTT | natural abundance | 10 (±0.5) mM | |
22 | sodium azide | natural abundance | 0.02 (±0.001) % | |
23 | D2O | natural abundance | 100 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
17 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
18 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
19 | sodium chloride | natural abundance | 200 (±10.0) mM | |
20 | calcium chloride | natural abundance | 5 (±0.2) mM | |
21 | DTT | natural abundance | 10 (±0.5) mM | |
22 | sodium azide | natural abundance | 0.02 (±0.001) % | |
23 | D2O | natural abundance | 100 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1), Details mixture of DhR8C-NC and DhR8C-LB at a ratio 1:1(mM:mM).
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
24 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-100% 13C; U-100% 15N] | 0.5 (±0.1) mM | |
25 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | natural abundance | 0.5 (±0.1) mM | |
26 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
27 | sodium chloride | natural abundance | 200 (±10.0) mM | |
28 | calcium chloride | natural abundance | 5 (±0.2) mM | |
29 | DTT | natural abundance | 10 (±0.5) mM | |
30 | sodium azide | natural abundance | 0.02 (±0.001) % | |
31 | H2O | natural abundance | 90 % | |
32 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 4.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_16656_2ks0.nef |
Input source #2: Coordindates | 2ks0.cif |
Diamagnetism of the molecular assembly | True (excluding Oxygen atoms) |
Whether the assembly has a disulfide bond | None |
Whether the assembly has a other bond | None |
Whether the assembly contains a cyclic polymer | None |
Overall data processing status | Warning |
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneSequence alignments
--------10--------20--------30--------40--------50--------60--------70- MDNRQFLSLTGVSKVQSFDPKEILLETIQGVLSIKGEKLGIKHLDLKAGQVEVEGLIDALVYPLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MDNRQFLSLTGVSKVQSFDPKEILLETIQGVLSIKGEKLGIKHLDLKAGQVEVEGLIDALVYPLEHHHHHH
--------10--------20--------30--------40--------50--------60--------70- MDNRQFLSLTGVSKVQSFDPKEILLETIQGVLSIKGEKLGIKHLDLKAGQVEVEGLIDALVYPLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MDNRQFLSLTGVSKVQSFDPKEILLETIQGVLSIKGEKLGIKHLDLKAGQVEVEGLIDALVYPLEHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 71 | 0 | 0 | 100.0 |
B | B | 71 | 0 | 0 | 100.0 |
Content subtype: combined_16656_2ks0.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70- MDNRQFLSLTGVSKVQSFDPKEILLETIQGVLSIKGEKLGIKHLDLKAGQVEVEGLIDALVYPLEHHHHHH |||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||| MDNRQFLSLTGVSKVQSFDPKEILLETIQGVLSIKGEKLG.....LKAGQVEVEGLIDALVYPLEHHHHHH
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
3 | ASN | CG | 176.7 |
5 | GLN | CD | 179.8 |
16 | GLN | CD | 178.3 |
27 | THR | HG1 | 5.73 |
29 | GLN | CD | 179.6 |
50 | GLN | CD | 178.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 438 | 391 | 89.3 |
13C chemical shifts | 333 | 284 | 85.3 |
15N chemical shifts | 75 | 69 | 92.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 146 | 135 | 92.5 |
13C chemical shifts | 142 | 122 | 85.9 |
15N chemical shifts | 69 | 63 | 91.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 292 | 256 | 87.7 |
13C chemical shifts | 191 | 162 | 84.8 |
15N chemical shifts | 6 | 6 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 49 | 45 | 91.8 |
13C chemical shifts | 49 | 45 | 91.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 28 | 14 | 50.0 |
13C chemical shifts | 28 | 14 | 50.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70- MDNRQFLSLTGVSKVQSFDPKEILLETIQGVLSIKGEKLGIKHLDLKAGQVEVEGLIDALVYPLEHHHHHH |||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||| || MDNRQFLSLTGVSKVQSFDPKEILLETIQGVLSIKGEKLG.....LKAGQVEVEGLIDALVYPLEH...HH
--------10--------20--------30--------40--------50--------60--------70- MDNRQFLSLTGVSKVQSFDPKEILLETIQGVLSIKGEKLGIKHLDLKAGQVEVEGLIDALVYPLEHHHHHH |||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||| || MDNRQFLSLTGVSKVQSFDPKEILLETIQGVLSIKGEKLG.....LKAGQVEVEGLIDALVYPLEH...HH
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70- MDNRQFLSLTGVSKVQSFDPKEILLETIQGVLSIKGEKLGIKHLDLKAGQVEVEGLIDALVYPLEHHHHHH ||||||||||||||||||||||||| ||||||||||| ||||||||||||||| ...RQFLSLTGVSKVQSFDPKEILLETI.GVLSIKGEKLG........GQVEVEGLIDALVYP --------10--------20--------30--------40--------50--------60---
--------10--------20--------30--------40--------50--------60--------70- MDNRQFLSLTGVSKVQSFDPKEILLETIQGVLSIKGEKLGIKHLDLKAGQVEVEGLIDALVYPLEHHHHHH ||||||||||||||||||||||||| ||||||||||| ||||||||||||||| ...RQFLSLTGVSKVQSFDPKEILLETI.GVLSIKGEKLG........GQVEVEGLIDALVYP --------10--------20--------30--------40--------50--------60---