NMR assignment of actin depolymerizing and dynamics regulatory protein from toxoplasma gondii
MASGMGVDEN CVARFNELKI RKTVKWIVFK IENTKIVVEK DGKGNADEFR GALPANDCRF GVYDCGNKIQ FVLWCPDNAP VKPRMTYASS KDALLKKLDG ATAVALEAHE MGDLAPLA
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 88.6 % (1200 of 1355) | 86.2 % (607 of 704) | 91.7 % (484 of 528) | 88.6 % (109 of 123) |
Backbone | 95.3 % (665 of 698) | 91.3 % (219 of 240) | 98.3 % (339 of 345) | 94.7 % (107 of 113) |
Sidechain | 83.9 % (643 of 766) | 83.8 % (389 of 464) | 86.3 % (252 of 292) | 20.0 % (2 of 10) |
Aromatic | 59.6 % (56 of 94) | 68.1 % (32 of 47) | 53.3 % (24 of 45) | 0.0 % (0 of 2) |
Methyl | 93.9 % (124 of 132) | 95.5 % (63 of 66) | 92.4 % (61 of 66) |
1. TgADF
MASGMGVDEN CVARFNELKI RKTVKWIVFK IENTKIVVEK DGKGNADEFR GALPANDCRF GVYDCGNKIQ FVLWCPDNAP VKPRMTYASS KDALLKKLDG ATAVALEAHE MGDLAPLASolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | DTT | natural abundance | 1 mM | |
5 | AEBSF protease inhibitor | natural abundance | 1 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | natural abundance | 5 % | |
8 | TgADF | [U-100% 13C; U-100% 15N] | 0.8 mM |
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 |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | DTT | natural abundance | 1 mM | |
5 | AEBSF protease inhibitor | natural abundance | 1 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | natural abundance | 5 % | |
8 | TgADF | [U-100% 13C; U-100% 15N] | 0.8 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | DTT | natural abundance | 1 mM | |
5 | AEBSF protease inhibitor | natural abundance | 1 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | natural abundance | 5 % | |
8 | TgADF | [U-100% 13C; U-100% 15N] | 0.8 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | DTT | natural abundance | 1 mM | |
5 | AEBSF protease inhibitor | natural abundance | 1 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | natural abundance | 5 % | |
8 | TgADF | [U-100% 13C; U-100% 15N] | 0.8 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | DTT | natural abundance | 1 mM | |
5 | AEBSF protease inhibitor | natural abundance | 1 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | natural abundance | 5 % | |
8 | TgADF | [U-100% 13C; U-100% 15N] | 0.8 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | DTT | natural abundance | 1 mM | |
5 | AEBSF protease inhibitor | natural abundance | 1 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | natural abundance | 5 % | |
8 | TgADF | [U-100% 13C; U-100% 15N] | 0.8 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | DTT | natural abundance | 1 mM | |
5 | AEBSF protease inhibitor | natural abundance | 1 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | natural abundance | 5 % | |
8 | TgADF | [U-100% 13C; U-100% 15N] | 0.8 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | DTT | natural abundance | 1 mM | |
5 | AEBSF protease inhibitor | natural abundance | 1 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | natural abundance | 5 % | |
8 | TgADF | [U-100% 13C; U-100% 15N] | 0.8 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | DTT | natural abundance | 1 mM | |
5 | AEBSF protease inhibitor | natural abundance | 1 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | natural abundance | 5 % | |
8 | TgADF | [U-100% 13C; U-100% 15N] | 0.8 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | DTT | natural abundance | 1 mM | |
5 | AEBSF protease inhibitor | natural abundance | 1 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | natural abundance | 5 % | |
8 | TgADF | [U-100% 13C; U-100% 15N] | 0.8 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | DTT | natural abundance | 1 mM | |
5 | AEBSF protease inhibitor | natural abundance | 1 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | natural abundance | 5 % | |
8 | TgADF | [U-100% 13C; U-100% 15N] | 0.8 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | DTT | natural abundance | 1 mM | |
5 | AEBSF protease inhibitor | natural abundance | 1 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | natural abundance | 5 % | |
8 | TgADF | [U-100% 13C; U-100% 15N] | 0.8 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | DTT | natural abundance | 1 mM | |
5 | AEBSF protease inhibitor | natural abundance | 1 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | natural abundance | 5 % | |
8 | TgADF | [U-100% 13C; U-100% 15N] | 0.8 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | DTT | natural abundance | 1 mM | |
5 | AEBSF protease inhibitor | natural abundance | 1 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | natural abundance | 5 % | |
8 | TgADF | [U-100% 13C; U-100% 15N] | 0.8 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17278_2mot.nef |
Input source #2: Coordindates | 2mot.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 MASGMGVDENCVARFNELKIRKTVKWIVFKIENTKIVVEKDGKGNADEFRGALPANDCRFGVYDCGNKIQFVLWCPDNAPVKPRMTYASSKDALLKKLDG |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MASGMGVDENCVARFNELKIRKTVKWIVFKIENTKIVVEKDGKGNADEFRGALPANDCRFGVYDCGNKIQFVLWCPDNAPVKPRMTYASSKDALLKKLDG -------110-------- ATAVALEAHEMGDLAPLA |||||||||||||||||| ATAVALEAHEMGDLAPLA
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 118 | 0 | 0 | 100.0 |
Content subtype: combined_17278_2mot.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MASGMGVDENCVARFNELKIRKTVKWIVFKIENTKIVVEKDGKGNADEFRGALPANDCRFGVYDCGNKIQFVLWCPDNAPVKPRMTYASSKDALLKKLDG |||||||||||||||||||||| ||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MASGMGVDENCVARFNELKIRK.VKWIVFKIE.TKIVVEKDGKGNADEFRGALPANDCRFGVYDCGNKIQFVLWCPDNAPVKPRMTYASSKDALLKKLDG -------110-------- ATAVALEAHEMGDLAPLA |||||||||||||||||| ATAVALEAHEMGDLAPLA
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
109 | HIS | HD1 | 7.783 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 704 | 599 | 85.1 |
13C chemical shifts | 528 | 478 | 90.5 |
15N chemical shifts | 128 | 109 | 85.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 240 | 220 | 91.7 |
13C chemical shifts | 236 | 232 | 98.3 |
15N chemical shifts | 113 | 107 | 94.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 464 | 379 | 81.7 |
13C chemical shifts | 292 | 246 | 84.2 |
15N chemical shifts | 15 | 2 | 13.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 70 | 60 | 85.7 |
13C chemical shifts | 70 | 61 | 87.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 47 | 30 | 63.8 |
13C chemical shifts | 45 | 22 | 48.9 |
15N chemical shifts | 2 | 0 | 0.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MASGMGVDENCVARFNELKIRKTVKWIVFKIENTKIVVEKDGKGNADEFRGALPANDCRFGVYDCGNKIQFVLWCPDNAPVKPRMTYASSKDALLKKLDG |||||||||||||||||||||| ||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MASGMGVDENCVARFNELKIRK.VKWIVFKIE.TKIVVEKDGKGNADEFRGALPANDCRFGVYDCGNKIQFVLWCPDNAPVKPRMTYASSKDALLKKLDG -------110-------- ATAVALEAHEMGDLAPLA |||||||||||||||||| ATAVALEAHEMGDLAPLA
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MASGMGVDENCVARFNELKIRKTVKWIVFKIENTKIVVEKDGKGNADEFRGALPANDCRFGVYDCGNKIQFVLWCPDNAPVKPRMTYASSKDALLKKLDG |||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...GMGVDENCVARFNELKIRKTVKWIVFKIENTKIVVEKD...NADEFRGALPANDCRFGVYDCGNKIQFVLWCPDNAPVKPRMTYASSKDALLKKLDG --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------- ATAVALEAHEMGDLAPLA ||||||||||||||||| ATAVALEAHEMGDLAPL -------110-------