1H, 13C and 15N resonance assignments for ADF/Cofilin from Trypanosoma brucei
MGHHHHHHMA MSGVSVADEC VTALNDLRHK KSRYVIMHIV DQKSIAVKTI GERGANFDQF IEAIDKNVPC YAAFDFEYTT NDGPRDKLIL ISWNPDSGAP RTKMLYSSSR DALVPLTQGF QGIQANDASG LDFEEISRKV KSNR
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 80.0 % (1320 of 1650) | 77.8 % (666 of 856) | 81.5 % (523 of 642) | 86.2 % (131 of 152) |
Backbone | 92.7 % (792 of 854) | 92.8 % (271 of 292) | 92.2 % (390 of 423) | 94.2 % (131 of 139) |
Sidechain | 70.2 % (654 of 931) | 70.0 % (395 of 564) | 73.2 % (259 of 354) | 0.0 % (0 of 13) |
Aromatic | 2.2 % (3 of 136) | 4.4 % (3 of 68) | 0.0 % (0 of 67) | 0.0 % (0 of 1) |
Methyl | 88.9 % (128 of 144) | 90.3 % (65 of 72) | 87.5 % (63 of 72) |
1. ADF Cofilin
MGHHHHHHMA MSGVSVADEC VTALNDLRHK KSRYVIMHIV DQKSIAVKTI GERGANFDQF IEAIDKNVPC YAAFDFEYTT NDGPRDKLIL ISWNPDSGAP RTKMLYSSSR DALVPLTQGF QGIQANDASG LDFEEISRKV KSNRSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ADF/Cofilin | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | EDTA | natural abundance | 2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | 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 | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ADF/Cofilin | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | EDTA | natural abundance | 2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ADF/Cofilin | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | EDTA | natural abundance | 2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ADF/Cofilin | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | EDTA | natural abundance | 2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ADF/Cofilin | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | EDTA | natural abundance | 2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ADF/Cofilin | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | EDTA | natural abundance | 2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ADF/Cofilin | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | EDTA | natural abundance | 2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ADF/Cofilin | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | EDTA | natural abundance | 2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ADF/Cofilin | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | EDTA | natural abundance | 2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ADF/Cofilin | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | EDTA | natural abundance | 2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ADF/Cofilin | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | EDTA | natural abundance | 2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_17374_2lj8.nef |
Input source #2: Coordindates | 2lj8.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--------80--------90-------100 MGHHHHHHMAMSGVSVADECVTALNDLRHKKSRYVIMHIVDQKSIAVKTIGERGANFDQFIEAIDKNVPCYAAFDFEYTTNDGPRDKLILISWNPDSGAP |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MGHHHHHHMAMSGVSVADECVTALNDLRHKKSRYVIMHIVDQKSIAVKTIGERGANFDQFIEAIDKNVPCYAAFDFEYTTNDGPRDKLILISWNPDSGAP -------110-------120-------130-------140---- RTKMLYSSSRDALVPLTQGFQGIQANDASGLDFEEISRKVKSNR |||||||||||||||||||||||||||||||||||||||||||| RTKMLYSSSRDALVPLTQGFQGIQANDASGLDFEEISRKVKSNR
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 144 | 0 | 0 | 100.0 |
Content subtype: combined_17374_2lj8.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MGHHHHHHMAMSGVSVADECVTALNDLRHKKSRYVIMHIVDQKSIAVKTIGERGANFDQFIEAIDKNVPCYAAFDFEYTTNDGPRDKLILISWNPDSGAP |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ........MAMSGVSVADECVTALNDLRHKKSRYVIMHIVDQKSIAVKTIGERGANFDQFIEAIDKNVPCYAAFDFEYTTNDGPRDKLILISWNPDSGAP -------110-------120-------130-------140---- RTKMLYSSSRDALVPLTQGFQGIQANDASGLDFEEISRKVKSNR |||||||||||||||||||||||||||||||||||||||||||| RTKMLYSSSRDALVPLTQGFQGIQANDASGLDFEEISRKVKSNR
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 856 | 672 | 78.5 |
13C chemical shifts | 642 | 527 | 82.1 |
15N chemical shifts | 160 | 130 | 81.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 292 | 273 | 93.5 |
13C chemical shifts | 288 | 268 | 93.1 |
15N chemical shifts | 139 | 130 | 93.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 564 | 399 | 70.7 |
13C chemical shifts | 354 | 259 | 73.2 |
15N chemical shifts | 21 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 77 | 70 | 90.9 |
13C chemical shifts | 77 | 65 | 84.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 68 | 0 | 0.0 |
13C chemical shifts | 67 | 0 | 0.0 |
15N chemical shifts | 1 | 0 | 0.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MGHHHHHHMAMSGVSVADECVTALNDLRHKKSRYVIMHIVDQKSIAVKTIGERGANFDQFIEAIDKNVPCYAAFDFEYTTNDGPRDKLILISWNPDSGAP |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ........MAMSGVSVADECVTALNDLRHKKSRYVIMHIVDQKSIAVKTIGERGANFDQFIEAIDKNVPCYAAFDFEYTTNDGPRDKLILISWNPDSGAP -------110-------120-------130-------140---- RTKMLYSSSRDALVPLTQGFQGIQANDASGLDFEEISRKVKSNR |||||||||||||||||||||||||||||||||||||||||||| RTKMLYSSSRDALVPLTQGFQGIQANDASGLDFEEISRKVKSNR