PsbQ protein
EARPIVVGPP PPLSGGLPGT ENSDQARDGT LPYTKDRFYL QPLPPTEAAQ RAKVSASEIL NVKQFIDRKA WPSLQNDLRL RASYLRYDLK TVISAKPKDE KKSLQELTSK LFSSIDNLDH AAKIKSPTEA EKYYGQTVSN INEVLAKLG
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 52.3 % (917 of 1753) | 43.0 % (397 of 923) | 61.0 % (415 of 680) | 70.0 % (105 of 150) |
Backbone | 75.0 % (651 of 868) | 68.2 % (199 of 292) | 78.9 % (347 of 440) | 77.2 % (105 of 136) |
Sidechain | 37.0 % (380 of 1027) | 31.4 % (198 of 631) | 47.6 % (182 of 382) | 0.0 % (0 of 14) |
Aromatic | 0.0 % (0 of 94) | 0.0 % (0 of 47) | 0.0 % (0 of 46) | 0.0 % (0 of 1) |
Methyl | 47.6 % (79 of 166) | 44.6 % (37 of 83) | 50.6 % (42 of 83) |
1. PsbQ protein
EARPIVVGPP PPLSGGLPGT ENSDQARDGT LPYTKDRFYL QPLPPTEAAQ RAKVSASEIL NVKQFIDRKA WPSLQNDLRL RASYLRYDLK TVISAKPKDE KKSLQELTSK LFSSIDNLDH AAKIKSPTEA EKYYGQTVSN INEVLAKLGSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.00
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PsbQ protein | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium phosphate | natural abundance | 20 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Bruker Avance - 750 MHz equipped with TCI cryoprobe, z-gradient, at the FMP institute in Berlin-Buch, Germany
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.00
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PsbQ protein | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium phosphate | natural abundance | 20 mM |
Bruker Avance - 750 MHz equipped with TCI cryoprobe, z-gradient, at the FMP institute in Berlin-Buch, Germany
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.00
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PsbQ protein | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium phosphate | natural abundance | 20 mM |
Bruker Avance - 750 MHz equipped with TCI cryoprobe, z-gradient, at the FMP institute in Berlin-Buch, Germany
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.00
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PsbQ protein | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium phosphate | natural abundance | 20 mM |
Bruker DRX - 600 MHz at the FMP institute in Berlin-Buch, Germany
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.00
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PsbQ protein | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium phosphate | natural abundance | 20 mM |
Bruker DRX - 600 MHz at the FMP institute in Berlin-Buch, Germany
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.00
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PsbQ protein | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium phosphate | natural abundance | 20 mM |
Bruker DRX - 600 MHz at the FMP institute in Berlin-Buch, Germany
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.00
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PsbQ protein | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium phosphate | natural abundance | 20 mM |
Bruker DRX - 600 MHz at the FMP institute in Berlin-Buch, Germany
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.00
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PsbQ protein | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium phosphate | natural abundance | 20 mM |
Bruker DRX - 600 MHz at the FMP institute in Berlin-Buch, Germany
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.00
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PsbQ protein | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium phosphate | natural abundance | 20 mM |
Bruker Avance - 600 MHz equipped with TCI cryoprobe with cold proton and carbon preamplifier, in NCBR Brno, Czech republic
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.00
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PsbQ protein | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium phosphate | natural abundance | 20 mM |
Bruker Avance - 600 MHz equipped with TCI cryoprobe with cold proton and carbon preamplifier, in NCBR Brno, Czech republic
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.00
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PsbQ protein | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium phosphate | natural abundance | 20 mM |
Bruker Avance - 600 MHz equipped with TCI cryoprobe with cold proton and carbon preamplifier, in NCBR Brno, Czech republic
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.00
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PsbQ protein | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium phosphate | natural abundance | 20 mM |
Bruker DRX - 500 MHz equipped with TXI cryoprobe with cold proton preamplifier, Institute of Organic Chemistry, JKU Linz, Austria
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.00
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PsbQ protein | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium phosphate | natural abundance | 20 mM |
Properties
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneContent subtype: bmr17357_3.str
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 EARPIVVGPPPPLSGGLPGTENSDQARDGTLPYTKDRFYLQPLPPTEAAQRAKVSASEILNVKQFIDRKAWPSLQNDLRLRASYLRYDLKTVISAKPKDE ||||||||||||||||||||||||||||||||||| ||| |||||||||| || |||||||| ||||| |||| ||||||| ||| | EARPIVVGPPPPLSGGLPGTENSDQARDGTLPYTK.RFY.QPLPPTEAAQ.....AS.ILNVKQFI.RKAWP.......LRAS.LRYDLKT..SAK...E -------110-------120-------130-------140--------- KKSLQELTSKLFSSIDNLDHAAKIKSPTEAEKYYGQTVSNINEVLAKLG |||||||| ||| |||||||||||||||||||| ||||||||| KKSLQELT..LFS....LDHAAKIKSPTEAEKYYGQT...INEVLAKLG
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
4 | PRO | N | 137.044 |
9 | PRO | N | 135.78 |
10 | PRO | N | 136.956 |
11 | PRO | N | 136.418 |
12 | PRO | N | 135.006 |
18 | PRO | N | 136.735 |
32 | PRO | N | 135.635 |
42 | PRO | N | 138.337 |
44 | PRO | N | 133.601 |
45 | PRO | N | 133.441 |
72 | PRO | N | 136.568 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 923 | 380 | 41.2 |
13C chemical shifts | 680 | 401 | 59.0 |
15N chemical shifts | 158 | 101 | 63.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 292 | 191 | 65.4 |
13C chemical shifts | 298 | 228 | 76.5 |
15N chemical shifts | 136 | 101 | 74.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 631 | 189 | 30.0 |
13C chemical shifts | 382 | 173 | 45.3 |
15N chemical shifts | 22 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 83 | 34 | 41.0 |
13C chemical shifts | 83 | 39 | 47.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 47 | 0 | 0.0 |
13C chemical shifts | 46 | 0 | 0.0 |
15N chemical shifts | 1 | 0 | 0.0 |