Solution structure of the large extracellular loop of FtsX in Streptococcus pneumoniae
GAMATAKLAT DIENNVRVVV YIRKDVEDNS QTIEKEGQTV TNNDYHKVYD SLKNMSTVKS VTFSSKEEQY EKLTEIMGDN WKIFEGDANP LYDAYIVEAN APNDVKTIAE DAKKIEGVSE VQDGGA
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 94.7 % (1349 of 1425) | 92.8 % (683 of 736) | 96.5 % (531 of 550) | 97.1 % (135 of 139) |
Backbone | 96.3 % (724 of 752) | 94.9 % (244 of 257) | 96.5 % (358 of 371) | 98.4 % (122 of 124) |
Sidechain | 93.6 % (741 of 792) | 91.6 % (439 of 479) | 97.0 % (289 of 298) | 86.7 % (13 of 15) |
Aromatic | 96.4 % (81 of 84) | 97.6 % (41 of 42) | 95.1 % (39 of 41) | 100.0 % (1 of 1) |
Methyl | 95.7 % (134 of 140) | 94.3 % (66 of 70) | 97.1 % (68 of 70) |
1. entity 1
GAMATAKLAT DIENNVRVVV YIRKDVEDNS QTIEKEGQTV TNNDYHKVYD SLKNMSTVKS VTFSSKEEQY EKLTEIMGDN WKIFEGDANP LYDAYIVEAN APNDVKTIAE DAKKIEGVSE VQDGGASolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 90 % H2O, 10 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 0.2 mM DSS, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | potassium phosphate | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | DSS | natural abundance | 0.2 mM |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 100 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
8 | D2O | [U-99% 2H] | 100 % | |
9 | potassium phosphate | natural abundance | 50 mM | |
10 | sodium chloride | natural abundance | 50 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 90 % H2O, 10 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 0.2 mM DSS, 20 mg/mL Pf1 phage, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
12 | H2O | natural abundance | 90 % | |
13 | D2O | [U-99% 2H] | 10 % | |
14 | potassium phosphate | natural abundance | 50 mM | |
15 | sodium chloride | natural abundance | 50 mM | |
16 | DSS | natural abundance | 0.2 mM | |
17 | Pf1 phage | natural abundance | 20 mg/mL |
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 |
Pressure 1 atm, Temperature 298 K, pH 7.0
Experiment name pseudo 3D T1
Pressure 1 atm, Temperature 298 K, pH 7.0
Experiment name HN CPMG, pseudo 3D T2
Pressure 1 atm, Temperature 298 K, pH 7.0
Experiment name HN hNOE
Pressure 1 atm, Temperature 298 K, pH 7.0
Pressure 1 atm, Temperature 298 K, pH 7.0
Experiment name HN CPMG
List #1 RDC_list_1, RDC code 1DHN, Field strength (1H) 600 MHz
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 90 % H2O, 10 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 0.2 mM DSS, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | potassium phosphate | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | DSS | natural abundance | 0.2 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 100 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
8 | D2O | [U-99% 2H] | 100 % | |
9 | potassium phosphate | natural abundance | 50 mM | |
10 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 100 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
8 | D2O | [U-99% 2H] | 100 % | |
9 | potassium phosphate | natural abundance | 50 mM | |
10 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 90 % H2O, 10 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 0.2 mM DSS, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | potassium phosphate | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | DSS | natural abundance | 0.2 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 90 % H2O, 10 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 0.2 mM DSS, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | potassium phosphate | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | DSS | natural abundance | 0.2 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 90 % H2O, 10 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 0.2 mM DSS, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | potassium phosphate | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | DSS | natural abundance | 0.2 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 90 % H2O, 10 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 0.2 mM DSS, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | potassium phosphate | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | DSS | natural abundance | 0.2 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 90 % H2O, 10 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 0.2 mM DSS, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | potassium phosphate | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | DSS | natural abundance | 0.2 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 90 % H2O, 10 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 0.2 mM DSS, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | potassium phosphate | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | DSS | natural abundance | 0.2 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 90 % H2O, 10 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 0.2 mM DSS, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | potassium phosphate | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | DSS | natural abundance | 0.2 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 100 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
8 | D2O | [U-99% 2H] | 100 % | |
9 | potassium phosphate | natural abundance | 50 mM | |
10 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 100 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
8 | D2O | [U-99% 2H] | 100 % | |
9 | potassium phosphate | natural abundance | 50 mM | |
10 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 90 % H2O, 10 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 0.2 mM DSS, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | potassium phosphate | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | DSS | natural abundance | 0.2 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 100 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
8 | D2O | [U-99% 2H] | 100 % | |
9 | potassium phosphate | natural abundance | 50 mM | |
10 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 100 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
8 | D2O | [U-99% 2H] | 100 % | |
9 | potassium phosphate | natural abundance | 50 mM | |
10 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 90 % H2O, 10 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 0.2 mM DSS, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | potassium phosphate | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | DSS | natural abundance | 0.2 mM |
Varian INOVA - 800 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 90 % H2O, 10 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 0.2 mM DSS, 20 mg/mL Pf1 phage, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
12 | H2O | natural abundance | 90 % | |
13 | D2O | [U-99% 2H] | 10 % | |
14 | potassium phosphate | natural abundance | 50 mM | |
15 | sodium chloride | natural abundance | 50 mM | |
16 | DSS | natural abundance | 0.2 mM | |
17 | Pf1 phage | natural abundance | 20 mg/mL |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 100 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
8 | D2O | [U-99% 2H] | 100 % | |
9 | potassium phosphate | natural abundance | 50 mM | |
10 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 100 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
8 | D2O | [U-99% 2H] | 100 % | |
9 | potassium phosphate | natural abundance | 50 mM | |
10 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 100 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
8 | D2O | [U-99% 2H] | 100 % | |
9 | potassium phosphate | natural abundance | 50 mM | |
10 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 100 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
8 | D2O | [U-99% 2H] | 100 % | |
9 | potassium phosphate | natural abundance | 50 mM | |
10 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 100 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
8 | D2O | [U-99% 2H] | 100 % | |
9 | potassium phosphate | natural abundance | 50 mM | |
10 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 100 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
8 | D2O | [U-99% 2H] | 100 % | |
9 | potassium phosphate | natural abundance | 50 mM | |
10 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 100 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | FtsX extracellular loop 1 | [U-99% 13C; U-99% 15N] | 0.7 mM | |
8 | D2O | [U-99% 2H] | 100 % | |
9 | potassium phosphate | natural abundance | 50 mM | |
10 | sodium chloride | natural abundance | 50 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_30523_6mk7.nef |
Input source #2: Coordindates | 6mk7.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
------50--------60--------70--------80--------90-------100-------110-------120-------130-------140-- GAMATAKLATDIENNVRVVVYIRKDVEDNSQTIEKEGQTVTNNDYHKVYDSLKNMSTVKSVTFSSKEEQYEKLTEIMGDNWKIFEGDANPLYDAYIVEAN |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GAMATAKLATDIENNVRVVVYIRKDVEDNSQTIEKEGQTVTNNDYHKVYDSLKNMSTVKSVTFSSKEEQYEKLTEIMGDNWKIFEGDANPLYDAYIVEAN --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -----150-------160-------- APNDVKTIAEDAKKIEGVSEVQDGGA |||||||||||||||||||||||||| APNDVKTIAEDAKKIEGVSEVQDGGA -------110-------120------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 126 | 0 | 0 | 100.0 |
Content subtype: combined_30523_6mk7.nef
Assigned chemical shifts
------50--------60--------70--------80--------90-------100-------110-------120-------130-------140-- GAMATAKLATDIENNVRVVVYIRKDVEDNSQTIEKEGQTVTNNDYHKVYDSLKNMSTVKSVTFSSKEEQYEKLTEIMGDNWKIFEGDANPLYDAYIVEAN ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .AMATAKLATDIENNVRVVVYIRKDVEDNSQTIEKEGQTVTNNDYHKVYDSLKNMSTVKSVTFSSKEEQYEKLTEIMGDNWKIFEGDANPLYDAYIVEAN -----150-------160-------- APNDVKTIAEDAKKIEGVSEVQDGGA |||||||||||||||||||||||||| APNDVKTIAEDAKKIEGVSEVQDGGA
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 736 | 705 | 95.8 |
13C chemical shifts | 550 | 541 | 98.4 |
15N chemical shifts | 141 | 134 | 95.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 257 | 252 | 98.1 |
13C chemical shifts | 252 | 245 | 97.2 |
15N chemical shifts | 124 | 121 | 97.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 479 | 453 | 94.6 |
13C chemical shifts | 298 | 296 | 99.3 |
15N chemical shifts | 17 | 13 | 76.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 73 | 71 | 97.3 |
13C chemical shifts | 73 | 73 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 42 | 41 | 97.6 |
13C chemical shifts | 41 | 39 | 95.1 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
------50--------60--------70--------80--------90-------100-------110-------120-------130-------140-- GAMATAKLATDIENNVRVVVYIRKDVEDNSQTIEKEGQTVTNNDYHKVYDSLKNMSTVKSVTFSSKEEQYEKLTEIMGDNWKIFEGDANPLYDAYIVEAN ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...............VRVVVYIRKDVEDNSQTIEKEGQTVTNNDYHKVYDSLKNMSTVKSVTFSSKEEQYEKLTEIMGDNWKIFEGDANPLYDAYIVEAN ------50--------60--------70--------80--------90-------100-------110-------120-------130-------140-- -----150-------160-------- APNDVKTIAEDAKKIEGVSEVQDGGA ||||||||||||||||||||||||| APNDVKTIAEDAKKIEGVSEVQDGG -----150-------160-------
Dihedral angle restraints
------50--------60--------70--------80--------90-------100-------110-------120-------130-------140-- GAMATAKLATDIENNVRVVVYIRKDVEDNSQTIEKEGQTVTNNDYHKVYDSLKNMSTVKSVTFSSKEEQYEKLTEIMGDNWKIFEGDANPLYDAYIVEAN ||||||| ||||| ||||| |||||||||| |||||||||||||||||| || |||||| ................RVVVYIR........TIEKE.QTVTN....KVYDSLKNMS...SVTFSSKEEQYEKLTEIM.............LY.AYIVEA. ------50--------60--------70--------80--------90-------100-------110-------120-------130-------140-- -----150-------160-------- APNDVKTIAEDAKKIEGVSEVQDGGA |||||||||||||| |||||| .PNDVKTIAEDAKKI...SEVQDG -----150-------160------
RDC restraints
------50--------60--------70--------80--------90-------100-------110-------120-------130-------140-- GAMATAKLATDIENNVRVVVYIRKDVEDNSQTIEKEGQTVTNNDYHKVYDSLKNMSTVKSVTFSSKEEQYEKLTEIMGDNWKIFEGDANPLYDAYIVEAN ||||||||||||| ||| |||||||| ||||| ||| |||||| ||||||||| |||||| | |||| |||| ................RVVVYIRKDVEDN.QTI.KEGQTVTN.DYHKV.DSL.NMSTVK.VTFSSKEEQ.EKLTEI....W..........YDAY.VEAN ------50--------60--------70--------80--------90-------100-------110-------120-------130-------140-- -----150-------160-------- APNDVKTIAEDAKKIEGVSEVQDGGA | |||||||||| ||||||||| A.NDVKTIAEDA.KIEGVSEVQ -----150-------160----