NMR structure of the third TPR domain of the human SPAG1 protein
GPHMTFKALK EEGNQCVNDK NYKDALSKYS ECLKINNKEC AIYTNRALCY LKLCQFEEAK QDCDQALQLA DGNVKAFYRR ALAHKGLKNY QKSLIDLNKV ILLDPSIIEA KMELEEVTRL LNLKD
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 95.9 % (1450 of 1512) | 96.1 % (765 of 796) | 95.0 % (548 of 577) | 98.6 % (137 of 139) |
Backbone | 97.3 % (726 of 746) | 96.0 % (242 of 252) | 97.6 % (362 of 371) | 99.2 % (122 of 123) |
Sidechain | 93.9 % (833 of 887) | 95.0 % (517 of 544) | 92.0 % (301 of 327) | 93.8 % (15 of 16) |
Aromatic | 69.8 % (60 of 86) | 88.4 % (38 of 43) | 51.2 % (22 of 43) | |
Methyl | 98.6 % (138 of 140) | 97.1 % (68 of 70) | 100.0 % (70 of 70) |
1. entity 1
GPHMTFKALK EEGNQCVNDK NYKDALSKYS ECLKINNKEC AIYTNRALCY LKLCQFEEAK QDCDQALQLA DGNVKAFYRR ALAHKGLKNY QKSLIDLNKV ILLDPSIIEA KMELEEVTRL LNLKDSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR3, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SPAG1-TPR3 | [U-13C; U-15N] | 1 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | TCEP | natural abundance | 0.5 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR3, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SPAG1-TPR3 | [U-13C; U-15N] | 1 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | TCEP | natural abundance | 0.5 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR3, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SPAG1-TPR3 | [U-13C; U-15N] | 1 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | TCEP | natural abundance | 0.5 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR3, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SPAG1-TPR3 | [U-13C; U-15N] | 1 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | TCEP | natural abundance | 0.5 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR3, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SPAG1-TPR3 | [U-13C; U-15N] | 1 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | TCEP | natural abundance | 0.5 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR3, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SPAG1-TPR3 | [U-13C; U-15N] | 1 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | TCEP | natural abundance | 0.5 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR3, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SPAG1-TPR3 | [U-13C; U-15N] | 1 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | TCEP | natural abundance | 0.5 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR3, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SPAG1-TPR3 | [U-13C; U-15N] | 1 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | TCEP | natural abundance | 0.5 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR3, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SPAG1-TPR3 | [U-13C; U-15N] | 1 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | TCEP | natural abundance | 0.5 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR3, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SPAG1-TPR3 | [U-13C; U-15N] | 1 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | TCEP | natural abundance | 0.5 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR3, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SPAG1-TPR3 | [U-13C; U-15N] | 1 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | TCEP | natural abundance | 0.5 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR3, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SPAG1-TPR3 | [U-13C; U-15N] | 1 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | TCEP | natural abundance | 0.5 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR3, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SPAG1-TPR3 | [U-13C; U-15N] | 1 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | TCEP | natural abundance | 0.5 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR3, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SPAG1-TPR3 | [U-13C; U-15N] | 1 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | TCEP | natural abundance | 0.5 mM |
Properties
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneContent subtype: bmr34329_3.str
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GPHMTFKALKEEGNQCVNDKNYKDALSKYSECLKINNKECAIYTNRALCYLKLCQFEEAKQDCDQALQLADGNVKAFYRRALAHKGLKNYQKSLIDLNKV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPHMTFKALKEEGNQCVNDKNYKDALSKYSECLKINNKECAIYTNRALCYLKLCQFEEAKQDCDQALQLADGNVKAFYRRALAHKGLKNYQKSLIDLNKV -------110-------120----- ILLDPSIIEAKMELEEVTRLLNLKD ||||||||||||||||||||||||| ILLDPSIIEAKMELEEVTRLLNLKD
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
3 | HIS | ND1 | 199.195 |
3 | HIS | NE2 | 176.49 |
32 | CYS | HG | 1.876 |
49 | CYS | HG | 2.855 |
50 | TYR | HH | 11.325 |
63 | CYS | HG | 2.698 |
78 | TYR | HH | 10.202 |
93 | SER | HG | 4.049 |
118 | THR | HG1 | 4.979 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 796 | 789 | 99.1 |
13C chemical shifts | 577 | 555 | 96.2 |
15N chemical shifts | 143 | 141 | 98.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 252 | 251 | 99.6 |
13C chemical shifts | 250 | 249 | 99.6 |
15N chemical shifts | 123 | 122 | 99.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 544 | 538 | 98.9 |
13C chemical shifts | 327 | 306 | 93.6 |
15N chemical shifts | 20 | 19 | 95.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 72 | 72 | 100.0 |
13C chemical shifts | 72 | 72 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 43 | 43 | 100.0 |
13C chemical shifts | 43 | 24 | 55.8 |