Solution structure of N terminal domain of the MuB AAA+ ATPase
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 84.4 % (635 of 752) | 97.7 % (382 of 391) | 64.9 % (187 of 288) | 90.4 % (66 of 73) |
Backbone | 76.8 % (298 of 388) | 95.5 % (128 of 134) | 59.5 % (113 of 190) | 89.1 % (57 of 64) |
Sidechain | 93.2 % (395 of 424) | 98.8 % (254 of 257) | 83.5 % (132 of 158) | 100.0 % (9 of 9) |
Aromatic | 50.0 % (26 of 52) | 96.2 % (25 of 26) | 0.0 % (0 of 25) | 100.0 % (1 of 1) |
Methyl | 100.0 % (70 of 70) | 100.0 % (35 of 35) | 100.0 % (35 of 35) |
1. MuB-NTD
GPMNISDIRA GLRTLVENEE TTFKQIALES GLSTGTISSF INDKYNGDNE RVSQTLQRWL EKYHASolvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MuB-NTD | natural abundance | 500 uM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM |
Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | MuB-NTD | [U-98% 15N] | 500 uM | |
5 | sodium phosphate | natural abundance | 20 mM | |
6 | sodium chloride | natural abundance | 100 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | MuB-NTD | [U-98% 15N] | 500 uM | |
5 | sodium phosphate | natural abundance | 20 mM | |
6 | sodium chloride | natural abundance | 100 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | MuB-NTD | [U-98% 15N] | 500 uM | |
5 | sodium phosphate | natural abundance | 20 mM | |
6 | sodium chloride | natural abundance | 100 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | MuB-NTD | [U-98% 15N] | 500 uM | |
5 | sodium phosphate | natural abundance | 20 mM | |
6 | sodium chloride | natural abundance | 100 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MuB-NTD | natural abundance | 500 uM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MuB-NTD | natural abundance | 500 uM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MuB-NTD | natural abundance | 500 uM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25037_2mqk.nef |
Input source #2: Coordindates | 2mqk.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
-0--------10--------20--------30--------40--------50--------60--- GPMNISDIRAGLRTLVENEETTFKQIALESGLSTGTISSFINDKYNGDNERVSQTLQRWLEKYHA ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPMNISDIRAGLRTLVENEETTFKQIALESGLSTGTISSFINDKYNGDNERVSQTLQRWLEKYHA --------10--------20--------30--------40--------50--------60-----
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 65 | 0 | 0 | 100.0 |
Content subtype: combined_25037_2mqk.nef
Assigned chemical shifts
-0--------10--------20--------30--------40--------50--------60--- GPMNISDIRAGLRTLVENEETTFKQIALESGLSTGTISSFINDKYNGDNERVSQTLQRWLEKYHA ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPMNISDIRAGLRTLVENEETTFKQIALESGLSTGTISSFINDKYNGDNERVSQTLQRWLEKYHA
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
28 | SER | HG | 4.553 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 391 | 381 | 97.4 |
13C chemical shifts | 288 | 183 | 63.5 |
15N chemical shifts | 77 | 68 | 88.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 134 | 127 | 94.8 |
13C chemical shifts | 130 | 51 | 39.2 |
15N chemical shifts | 64 | 57 | 89.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 257 | 254 | 98.8 |
13C chemical shifts | 158 | 132 | 83.5 |
15N chemical shifts | 13 | 11 | 84.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 36 | 36 | 100.0 |
13C chemical shifts | 36 | 36 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 26 | 25 | 96.2 |
13C chemical shifts | 25 | 0 | 0.0 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
-0--------10--------20--------30--------40--------50--------60--- GPMNISDIRAGLRTLVENEETTFKQIALESGLSTGTISSFINDKYNGDNERVSQTLQRWLEKYHA ||||||||||||||||||||||||||||||||||||||||||||| | ||||||||||||||||| GPMNISDIRAGLRTLVENEETTFKQIALESGLSTGTISSFINDKY.G.NERVSQTLQRWLEKYHA
Dihedral angle restraints
-0--------10--------20--------30--------40--------50--------60--- GPMNISDIRAGLRTLVENEETTFKQIALESGLSTGTISSFINDKYNGDNERVSQTLQRWLEKYHA |||||||||||||||||||||||||||| |||||||||| |||||||||||||||||| ...NISDIRAGLRTLVENEETTFKQIALESG.STGTISSFIN.....DNERVSQTLQRWLEKYHA