1H, 13C, and 15N Chemical Shift Assignments for PTH from Mycobacterium tuberculosis H37Rv
MAEPLLVVGL GNPGANYART RHNLGFVVAD LLAARLGAKF KAHKRSGAEV ATGRSAGRSL VLAKPRCYMN ESGRQIGPLA KFYSVAPANI IVIHDDLDLE FGRIRLKIGG GEGGHNGLRS VVAALGTKDF QRVRIGIGRP PGRKDPAAFV LENFTPAERA EVPTICEQAA DATELLIEQG MEPAQNRVHA W
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 82.8 % (1772 of 2140) | 78.1 % (868 of 1112) | 87.5 % (730 of 834) | 89.7 % (174 of 194) |
Backbone | 94.7 % (1064 of 1124) | 91.1 % (358 of 393) | 96.7 % (533 of 551) | 96.1 % (173 of 180) |
Sidechain | 73.5 % (871 of 1185) | 70.9 % (510 of 719) | 79.6 % (360 of 452) | 7.1 % (1 of 14) |
Aromatic | 7.9 % (10 of 126) | 7.9 % (5 of 63) | 8.1 % (5 of 62) | 0.0 % (0 of 1) |
Methyl | 87.9 % (204 of 232) | 84.5 % (98 of 116) | 91.4 % (106 of 116) |
1. PTH
MAEPLLVVGL GNPGANYART RHNLGFVVAD LLAARLGAKF KAHKRSGAEV ATGRSAGRSL VLAKPRCYMN ESGRQIGPLA KFYSVAPANI IVIHDDLDLE FGRIRLKIGG GEGGHNGLRS VVAALGTKDF QRVRIGIGRP PGRKDPAAFV LENFTPAERA EVPTICEQAA DATELLIEQG MEPAQNRVHA WTemperature 303 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PTH | [U-15N; U-13C] | 0.8 mM | |
2 | sodium phosphate | 20 mM | ||
3 | sodium chloride | 50 mM | ||
4 | NaN3 | 0.1 % |
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 |
Varian UnityINOVA - 600 MHz
State isotropic, Temperature 303 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PTH | [U-15N; U-13C] | 0.8 mM | |
2 | sodium phosphate | 20 mM | ||
3 | sodium chloride | 50 mM | ||
4 | NaN3 | 0.1 % |
Varian UnityINOVA - 600 MHz
State isotropic, Temperature 303 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PTH | [U-15N; U-13C] | 0.8 mM | |
2 | sodium phosphate | 20 mM | ||
3 | sodium chloride | 50 mM | ||
4 | NaN3 | 0.1 % |
Varian UnityINOVA - 600 MHz
State isotropic, Temperature 303 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PTH | [U-15N; U-13C] | 0.8 mM | |
2 | sodium phosphate | 20 mM | ||
3 | sodium chloride | 50 mM | ||
4 | NaN3 | 0.1 % |
Varian UnityINOVA - 600 MHz
State isotropic, Temperature 303 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PTH | [U-15N; U-13C] | 0.8 mM | |
2 | sodium phosphate | 20 mM | ||
3 | sodium chloride | 50 mM | ||
4 | NaN3 | 0.1 % |
Varian UnityINOVA - 600 MHz
State isotropic, Temperature 303 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PTH | [U-15N; U-13C] | 0.8 mM | |
2 | sodium phosphate | 20 mM | ||
3 | sodium chloride | 50 mM | ||
4 | NaN3 | 0.1 % |
Varian UnityINOVA - 600 MHz
State isotropic, Temperature 303 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PTH | [U-15N; U-13C] | 0.8 mM | |
2 | sodium phosphate | 20 mM | ||
3 | sodium chloride | 50 mM | ||
4 | NaN3 | 0.1 % |
Varian UnityINOVA - 600 MHz
State isotropic, Temperature 303 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PTH | [U-15N; U-13C] | 0.8 mM | |
2 | sodium phosphate | 20 mM | ||
3 | sodium chloride | 50 mM | ||
4 | NaN3 | 0.1 % |
Varian UnityINOVA - 600 MHz
State isotropic, Temperature 303 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PTH | [U-15N; U-13C] | 0.8 mM | |
2 | sodium phosphate | 20 mM | ||
3 | sodium chloride | 50 mM | ||
4 | NaN3 | 0.1 % |
Varian UnityINOVA - 600 MHz
State isotropic, Temperature 303 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PTH | [U-15N; U-13C] | 0.8 mM | |
2 | sodium phosphate | 20 mM | ||
3 | sodium chloride | 50 mM | ||
4 | NaN3 | 0.1 % |
Varian UnityINOVA - 600 MHz
State isotropic, Temperature 303 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PTH | [U-15N; U-13C] | 0.8 mM | |
2 | sodium phosphate | 20 mM | ||
3 | sodium chloride | 50 mM | ||
4 | NaN3 | 0.1 % |
Properties
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneContent subtype: bmr7055_3.str
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MAEPLLVVGLGNPGANYARTRHNLGFVVADLLAARLGAKFKAHKRSGAEVATGRSAGRSLVLAKPRCYMNESGRQIGPLAKFYSVAPANIIVIHDDLDLE ||||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...PLLVVGLGNPG.NYARTRHNLGFVVADLLAARLGAKFKAHKRSGAEVATGRSAGRSLVLAKPRCYMNESGRQIGPLAKFYSVAPANIIVIHDDLDLE -------110-------120-------130-------140-------150-------160-------170-------180-------190- FGRIRLKIGGGEGGHNGLRSVVAALGTKDFQRVRIGIGRPPGRKDPAAFVLENFTPAERAEVPTICEQAADATELLIEQGMEPAQNRVHAW ||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||| FGRIRLKIGGGEGGHNGLRSVVAALGTKDFQRVRIGIGR.PGRKDPAAFVLENFTPAERAEVPTICEQAADATELLIEQGMEPAQNRVHAW
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1112 | 854 | 76.8 |
13C chemical shifts | 834 | 730 | 87.5 |
15N chemical shifts | 211 | 171 | 81.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 393 | 358 | 91.1 |
13C chemical shifts | 382 | 372 | 97.4 |
15N chemical shifts | 180 | 171 | 95.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 719 | 496 | 69.0 |
13C chemical shifts | 452 | 358 | 79.2 |
15N chemical shifts | 31 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 119 | 102 | 85.7 |
13C chemical shifts | 119 | 107 | 89.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 63 | 0 | 0.0 |
13C chemical shifts | 62 | 0 | 0.0 |
15N chemical shifts | 1 | 0 | 0.0 |