NMR assignment of a KlbA intein precursor from Methanococcus jannaschii
MNTGHDGALA YDEPIYLSDG NIINIGEFVD KFFKKYKNSI KKEDNGFGWI DIGNENIYIK SFNKLSLIIE DKRILRVWRK KYSGKLIKIT TKNRREITLT HDHPVYISKT GEVLEINAEM VKVGDYIYIP KNNTINLDEV IKVETVDYNG HIYDLTVEDN HTYIAGKNEG FAVSASSGTL HHHHHH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 92.9 % (2075 of 2233) | 94.6 % (1095 of 1157) | 89.9 % (787 of 875) | 96.0 % (193 of 201) |
Backbone | 96.0 % (1066 of 1110) | 96.6 % (370 of 383) | 95.4 % (519 of 544) | 96.7 % (177 of 183) |
Sidechain | 90.7 % (1175 of 1295) | 93.7 % (725 of 774) | 86.3 % (434 of 503) | 88.9 % (16 of 18) |
Aromatic | 60.6 % (131 of 216) | 75.0 % (81 of 108) | 45.3 % (48 of 106) | 100.0 % (2 of 2) |
Methyl | 100.0 % (214 of 214) | 100.0 % (107 of 107) | 100.0 % (107 of 107) |
1. intein precursor polypeptide
MNTGHDGALA YDEPIYLSDG NIINIGEFVD KFFKKYKNSI KKEDNGFGWI DIGNENIYIK SFNKLSLIIE DKRILRVWRK KYSGKLIKIT TKNRREITLT HDHPVYISKT GEVLEINAEM VKVGDYIYIP KNNTINLDEV IKVETVDYNG HIYDLTVEDN HTYIAGKNEG FAVSASSGTL HHHHHHSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 5.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | intein precursor polypeptide | [U-98% 15N] | 2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium azide | natural abundance | 2 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 5.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | intein precursor polypeptide | [U-98% 13C; U-98% 15N] | 2 mM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | sodium chloride | natural abundance | 100 mM | |
8 | sodium azide | natural abundance | 2 mM |
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 Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 5.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | intein precursor polypeptide | [U-98% 15N] | 2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium azide | natural abundance | 2 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 5.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | intein precursor polypeptide | [U-98% 13C; U-98% 15N] | 2 mM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | sodium chloride | natural abundance | 100 mM | |
8 | sodium azide | natural abundance | 2 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 5.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | intein precursor polypeptide | [U-98% 13C; U-98% 15N] | 2 mM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | sodium chloride | natural abundance | 100 mM | |
8 | sodium azide | natural abundance | 2 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 5.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | intein precursor polypeptide | [U-98% 13C; U-98% 15N] | 2 mM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | sodium chloride | natural abundance | 100 mM | |
8 | sodium azide | natural abundance | 2 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 5.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | intein precursor polypeptide | [U-98% 13C; U-98% 15N] | 2 mM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | sodium chloride | natural abundance | 100 mM | |
8 | sodium azide | natural abundance | 2 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 5.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | intein precursor polypeptide | [U-98% 13C; U-98% 15N] | 2 mM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | sodium chloride | natural abundance | 100 mM | |
8 | sodium azide | natural abundance | 2 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 5.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | intein precursor polypeptide | [U-98% 13C; U-98% 15N] | 2 mM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | sodium chloride | natural abundance | 100 mM | |
8 | sodium azide | natural abundance | 2 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 5.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | intein precursor polypeptide | [U-98% 13C; U-98% 15N] | 2 mM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | sodium chloride | natural abundance | 100 mM | |
8 | sodium azide | natural abundance | 2 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 5.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | intein precursor polypeptide | [U-98% 13C; U-98% 15N] | 2 mM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | sodium chloride | natural abundance | 100 mM | |
8 | sodium azide | natural abundance | 2 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 5.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | intein precursor polypeptide | [U-98% 15N] | 2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium azide | natural abundance | 2 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 5.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | intein precursor polypeptide | [U-98% 13C; U-98% 15N] | 2 mM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | sodium chloride | natural abundance | 100 mM | |
8 | sodium azide | natural abundance | 2 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 5.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | intein precursor polypeptide | [U-98% 15N] | 2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium azide | natural abundance | 2 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 5.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | intein precursor polypeptide | [U-98% 13C; U-98% 15N] | 2 mM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | sodium chloride | natural abundance | 100 mM | |
8 | sodium azide | natural abundance | 2 mM |
Properties
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneContent subtype: bmr15061_3.str
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MNTGHDGALAYDEPIYLSDGNIINIGEFVDKFFKKYKNSIKKEDNGFGWIDIGNENIYIKSFNKLSLIIEDKRILRVWRKKYSGKLIKITTKNRREITLT ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .NTGHDGALAYDEPIYLSDGNIINIGEFVDKFFKKYKNSIKKEDNGFGWIDIGNENIYIKSFNKLSLIIEDKRILRVWRKKYSGKLIKITTKNRREITLT --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-------160-------170-------180------ HDHPVYISKTGEVLEINAEMVKVGDYIYIPKNNTINLDEVIKVETVDYNGHIYDLTVEDNHTYIAGKNEGFAVSASSGTLHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| HDHPVYISKTGEVLEINAEMVKVGDYIYIPKNNTINLDEVIKVETVDYNGHIYDLTVEDNHTYIAGKNEGFAVSASSGTLH -------110-------120-------130-------140-------150-------160-------170-------180-
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1157 | 1097 | 94.8 |
13C chemical shifts | 875 | 788 | 90.1 |
15N chemical shifts | 206 | 194 | 94.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 383 | 369 | 96.3 |
13C chemical shifts | 372 | 354 | 95.2 |
15N chemical shifts | 183 | 175 | 95.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 774 | 728 | 94.1 |
13C chemical shifts | 503 | 434 | 86.3 |
15N chemical shifts | 23 | 19 | 82.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 109 | 107 | 98.2 |
13C chemical shifts | 109 | 107 | 98.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 108 | 84 | 77.8 |
13C chemical shifts | 106 | 49 | 46.2 |
15N chemical shifts | 2 | 2 | 100.0 |