Solution Structure of the N-terminal Domain of TDP-43
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 85.6 % (734 of 857) | 85.7 % (378 of 441) | 83.4 % (281 of 337) | 94.9 % (75 of 79) |
Backbone | 94.2 % (426 of 452) | 94.2 % (147 of 156) | 93.8 % (210 of 224) | 95.8 % (69 of 72) |
Sidechain | 78.9 % (375 of 475) | 81.1 % (231 of 285) | 75.4 % (138 of 183) | 85.7 % (6 of 7) |
Aromatic | 43.1 % (25 of 58) | 58.6 % (17 of 29) | 25.0 % (7 of 28) | 100.0 % (1 of 1) |
Methyl | 83.7 % (77 of 92) | 97.8 % (45 of 46) | 69.6 % (32 of 46) |
1. entity 1
MSEYIRVTED ENDEPIEIPS EDDGTVLLST VTAQFPGASG LRYRNPVSQS MRGVRLVEGI LHAPDAGWGN LVYVVNYSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM U-99% 13C; U-99% 15N TDP(1-77)-GB1-C39/C50S, 20 mM sodium phosphate, 50 mM sodium chloride, 0.05 v/v sodium azide, 90 % H2O, 10 % D2O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TDP(1-77)-GB1-C39/C50S | U-99% 13C; U-99% 15N | protein | 1 mM |
2 | sodium azide | natural abundance | 0.05 v/v | |
3 | sodium chloride | natural abundance | salt | 50 mM |
4 | sodium phosphate | natural abundance | buffer | 20 mM |
5 | H2O | natural abundance | solvent | 90 % |
6 | D2O | [U-2H] | solvent | 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 Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM U-99% 13C; U-99% 15N TDP(1-77)-GB1-C39/C50S, 20 mM sodium phosphate, 50 mM sodium chloride, 0.05 v/v sodium azide, 90 % H2O, 10 % D2O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TDP(1-77)-GB1-C39/C50S | U-99% 13C; U-99% 15N | protein | 1 mM |
2 | sodium azide | natural abundance | 0.05 v/v | |
3 | sodium chloride | natural abundance | salt | 50 mM |
4 | sodium phosphate | natural abundance | buffer | 20 mM |
5 | H2O | natural abundance | solvent | 90 % |
6 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM U-99% 13C; U-99% 15N TDP(1-77)-GB1-C39/C50S, 20 mM sodium phosphate, 50 mM sodium chloride, 0.05 v/v sodium azide, 90 % H2O, 10 % D2O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TDP(1-77)-GB1-C39/C50S | U-99% 13C; U-99% 15N | protein | 1 mM |
2 | sodium azide | natural abundance | 0.05 v/v | |
3 | sodium chloride | natural abundance | salt | 50 mM |
4 | sodium phosphate | natural abundance | buffer | 20 mM |
5 | H2O | natural abundance | solvent | 90 % |
6 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM U-99% 13C; U-99% 15N TDP(1-77)-GB1-C39/C50S, 20 mM sodium phosphate, 50 mM sodium chloride, 0.05 v/v sodium azide, 90 % H2O, 10 % D2O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TDP(1-77)-GB1-C39/C50S | U-99% 13C; U-99% 15N | protein | 1 mM |
2 | sodium azide | natural abundance | 0.05 v/v | |
3 | sodium chloride | natural abundance | salt | 50 mM |
4 | sodium phosphate | natural abundance | buffer | 20 mM |
5 | H2O | natural abundance | solvent | 90 % |
6 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM U-99% 13C; U-99% 15N TDP(1-77)-GB1-C39/C50S, 20 mM sodium phosphate, 50 mM sodium chloride, 0.05 v/v sodium azide, 90 % H2O, 10 % D2O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TDP(1-77)-GB1-C39/C50S | U-99% 13C; U-99% 15N | protein | 1 mM |
2 | sodium azide | natural abundance | 0.05 v/v | |
3 | sodium chloride | natural abundance | salt | 50 mM |
4 | sodium phosphate | natural abundance | buffer | 20 mM |
5 | H2O | natural abundance | solvent | 90 % |
6 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM U-99% 13C; U-99% 15N TDP(1-77)-GB1-C39/C50S, 20 mM sodium phosphate, 50 mM sodium chloride, 0.05 v/v sodium azide, 90 % H2O, 10 % D2O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TDP(1-77)-GB1-C39/C50S | U-99% 13C; U-99% 15N | protein | 1 mM |
2 | sodium azide | natural abundance | 0.05 v/v | |
3 | sodium chloride | natural abundance | salt | 50 mM |
4 | sodium phosphate | natural abundance | buffer | 20 mM |
5 | H2O | natural abundance | solvent | 90 % |
6 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM U-99% 13C; U-99% 15N TDP(1-77)-GB1-C39/C50S, 20 mM sodium phosphate, 50 mM sodium chloride, 0.05 v/v sodium azide, 90 % H2O, 10 % D2O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TDP(1-77)-GB1-C39/C50S | U-99% 13C; U-99% 15N | protein | 1 mM |
2 | sodium azide | natural abundance | 0.05 v/v | |
3 | sodium chloride | natural abundance | salt | 50 mM |
4 | sodium phosphate | natural abundance | buffer | 20 mM |
5 | H2O | natural abundance | solvent | 90 % |
6 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM U-99% 13C; U-99% 15N TDP(1-77)-GB1-C39/C50S, 20 mM sodium phosphate, 50 mM sodium chloride, 0.05 v/v sodium azide, 90 % H2O, 10 % D2O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TDP(1-77)-GB1-C39/C50S | U-99% 13C; U-99% 15N | protein | 1 mM |
2 | sodium azide | natural abundance | 0.05 v/v | |
3 | sodium chloride | natural abundance | salt | 50 mM |
4 | sodium phosphate | natural abundance | buffer | 20 mM |
5 | H2O | natural abundance | solvent | 90 % |
6 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM U-99% 13C; U-99% 15N TDP(1-77)-GB1-C39/C50S, 20 mM sodium phosphate, 50 mM sodium chloride, 0.05 v/v sodium azide, 90 % H2O, 10 % D2O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TDP(1-77)-GB1-C39/C50S | U-99% 13C; U-99% 15N | protein | 1 mM |
2 | sodium azide | natural abundance | 0.05 v/v | |
3 | sodium chloride | natural abundance | salt | 50 mM |
4 | sodium phosphate | natural abundance | buffer | 20 mM |
5 | H2O | natural abundance | solvent | 90 % |
6 | D2O | [U-2H] | solvent | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM U-99% 13C; U-99% 15N TDP(1-77)-GB1-C39/C50S, 20 mM sodium phosphate, 50 mM sodium chloride, 0.05 v/v sodium azide, 90 % H2O, 10 % D2O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TDP(1-77)-GB1-C39/C50S | U-99% 13C; U-99% 15N | protein | 1 mM |
2 | sodium azide | natural abundance | 0.05 v/v | |
3 | sodium chloride | natural abundance | salt | 50 mM |
4 | sodium phosphate | natural abundance | buffer | 20 mM |
5 | H2O | natural abundance | solvent | 90 % |
6 | D2O | [U-2H] | solvent | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_36060_5x4f.nef |
Input source #2: Coordindates | 5x4f.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------- MSEYIRVTEDENDEPIEIPSEDDGTVLLSTVTAQFPGASGLRYRNPVSQSMRGVRLVEGILHAPDAGWGNLVYVVNY ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MSEYIRVTEDENDEPIEIPSEDDGTVLLSTVTAQFPGASGLRYRNPVSQSMRGVRLVEGILHAPDAGWGNLVYVVNY
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 77 | 0 | 0 | 100.0 |
Content subtype: combined_36060_5x4f.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70------- MSEYIRVTEDENDEPIEIPSEDDGTVLLSTVTAQFPGASGLRYRNPVSQSMRGVRLVEGILHAPDAGWGNLVYVVNY |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SEYIRVTEDENDEPIEIPSEDDGTVLLSTVTAQFPGASGLRYRNPVSQSMRGVRLVEGILHAPDAGWGNLVYVVNY
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
6 | ARG | CZ | 159.501 |
42 | ARG | CZ | 159.337 |
55 | ARG | CZ | 159.645 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 337 | 272 | 80.7 |
1H chemical shifts | 441 | 377 | 85.5 |
15N chemical shifts | 84 | 78 | 92.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 154 | 142 | 92.2 |
1H chemical shifts | 156 | 149 | 95.5 |
15N chemical shifts | 72 | 69 | 95.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 183 | 130 | 71.0 |
1H chemical shifts | 285 | 228 | 80.0 |
15N chemical shifts | 12 | 9 | 75.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 48 | 30 | 62.5 |
1H chemical shifts | 48 | 45 | 93.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 28 | 2 | 7.1 |
1H chemical shifts | 29 | 13 | 44.8 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70------- MSEYIRVTEDENDEPIEIPSEDDGTVLLSTVTAQFPGASGLRYRNPVSQSMRGVRLVEGILHAPDAGWGNLVYVVNY |||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..EYIRVTEDENDEPIEI.SEDDGTVLLSTVTAQFPGASGLRYRNPVSQSMRGVRLVEGILHAPDAGWGNLVYVVNY