Solution structure of the carboxyterminal domain of NusG from Mycobacterium tuberculosis
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 96.3 % (679 of 705) | 98.3 % (356 of 362) | 93.6 % (263 of 281) | 96.8 % (60 of 62) |
Backbone | 95.3 % (347 of 364) | 96.8 % (121 of 125) | 93.9 % (170 of 181) | 96.6 % (56 of 58) |
Sidechain | 97.7 % (389 of 398) | 99.2 % (235 of 237) | 95.5 % (150 of 157) | 100.0 % (4 of 4) |
Aromatic | 100.0 % (38 of 38) | 100.0 % (19 of 19) | 100.0 % (19 of 19) | |
Methyl | 92.0 % (81 of 88) | 100.0 % (44 of 44) | 84.1 % (37 of 44) |
1. entity
GRPVVEVDYE VGESVTVMDG PFATLPATIS EVNAEQQKLK VLVSIFGRET PVELTFGQVS KISolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.1 mM 13C 15N MtNusG-CTD in 25 mM HEPES, 150mM NaCl pH7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-95% 13C; U-90% 15N] | 1.1 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.1 mM 13C 15N MtNusG-CTD in 25 mM HEPES, 150mM NaCl pH7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-95% 13C; U-90% 15N] | 1.1 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.1 mM 13C 15N MtNusG-CTD in 25 mM HEPES, 150mM NaCl pH7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-95% 13C; U-90% 15N] | 1.1 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.1 mM 13C 15N MtNusG-CTD in 25 mM HEPES, 150mM NaCl pH7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-95% 13C; U-90% 15N] | 1.1 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.1 mM 13C 15N MtNusG-CTD in 25 mM HEPES, 150mM NaCl pH7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-95% 13C; U-90% 15N] | 1.1 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.1 mM 13C 15N MtNusG-CTD in 25 mM HEPES, 150mM NaCl pH7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-95% 13C; U-90% 15N] | 1.1 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.1 mM 13C 15N MtNusG-CTD in 25 mM HEPES, 150mM NaCl pH7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-95% 13C; U-90% 15N] | 1.1 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.1 mM 13C 15N MtNusG-CTD in 25 mM HEPES, 150mM NaCl pH7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-95% 13C; U-90% 15N] | 1.1 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.1 mM 13C 15N MtNusG-CTD in 25 mM HEPES, 150mM NaCl pH7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-95% 13C; U-90% 15N] | 1.1 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.1 mM 13C 15N MtNusG-CTD in 25 mM HEPES, 150mM NaCl pH7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-95% 13C; U-90% 15N] | 1.1 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.1 mM 13C 15N MtNusG-CTD in 25 mM HEPES, 150mM NaCl pH7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-95% 13C; U-90% 15N] | 1.1 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.1 mM 13C 15N MtNusG-CTD in 25 mM HEPES, 150mM NaCl pH7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-95% 13C; U-90% 15N] | 1.1 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.1 mM 13C 15N MtNusG-CTD in 25 mM HEPES, 150mM NaCl pH7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-95% 13C; U-90% 15N] | 1.1 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_19667_2mi6.nef |
Input source #2: Coordindates | 2mi6.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
--------10--------20--------30--------40--------50--------60-- GRPVVEVDYEVGESVTVMDGPFATLPATISEVNAEQQKLKVLVSIFGRETPVELTFGQVSKI |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GRPVVEVDYEVGESVTVMDGPFATLPATISEVNAEQQKLKVLVSIFGRETPVELTFGQVSKI
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 62 | 0 | 0 | 100.0 |
Content subtype: combined_19667_2mi6.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60-- GRPVVEVDYEVGESVTVMDGPFATLPATISEVNAEQQKLKVLVSIFGRETPVELTFGQVSKI ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .RPVVEVDYEVGESVTVMDGPFATLPATISEVNAEQQKLKVLVSIFGRETPVELTFGQVSKI
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 362 | 356 | 98.3 |
13C chemical shifts | 281 | 263 | 93.6 |
15N chemical shifts | 64 | 60 | 93.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 125 | 121 | 96.8 |
13C chemical shifts | 124 | 113 | 91.1 |
15N chemical shifts | 58 | 56 | 96.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 237 | 235 | 99.2 |
13C chemical shifts | 157 | 150 | 95.5 |
15N chemical shifts | 6 | 4 | 66.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 45 | 45 | 100.0 |
13C chemical shifts | 45 | 38 | 84.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 19 | 19 | 100.0 |
13C chemical shifts | 19 | 19 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60-- GRPVVEVDYEVGESVTVMDGPFATLPATISEVNAEQQKLKVLVSIFGRETPVELTFGQVSKI ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .RPVVEVDYEVGESVTVMDGPFATLPATISEVNAEQQKLKVLVSIFGRETPVELTFGQVSKI
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60-- GRPVVEVDYEVGESVTVMDGPFATLPATISEVNAEQQKLKVLVSIFGRETPVELTFGQVSKI ||||||||||||| |||||||||||||||||||||||||||||||||||||||| .......DYEVGESVTVMDG..ATLPATISEVNAEQQKLKVLVSIFGRETPVELTFGQVSKI
RDC restraints
--------10--------20--------30--------40--------50--------60-- GRPVVEVDYEVGESVTVMDGPFATLPATISEVNAEQQKLKVLVSIFGRETPVELTFGQVSKI |||||| |||| ||| |||||| |||||| ||| | || || |||| .........EVGESV.VMDG..ATL..TISEVN..QQKLKV.VSI....T.VE.TF.QVSK --------10--------20--------30--------40--------50--------60-