Solution Structure and Chemical Shift Assignments for the Apo form of the Receiver Domain of Nitrogen Regulatory Protein C ( NTRC ) at 35C
MQRGIVWVVD DDSSIRWVLE RALAGAGLTC TTFENGNEVL AALASKTPDV LLSDIRMPGM DGLALLKQIK QRHPMLPVII MTAHSDLDAA VSAYQQGAFD YLPKPFDIDE AVALVERAIS HYQE
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 98.1 % (1380 of 1407) | 98.6 % (712 of 722) | 97.7 % (544 of 557) | 96.9 % (124 of 128) |
Backbone | 97.1 % (711 of 732) | 98.4 % (245 of 249) | 96.4 % (352 of 365) | 96.6 % (114 of 118) |
Sidechain | 99.2 % (786 of 792) | 98.7 % (467 of 473) | 100.0 % (309 of 309) | 100.0 % (10 of 10) |
Aromatic | 100.0 % (90 of 90) | 100.0 % (45 of 45) | 100.0 % (43 of 43) | 100.0 % (2 of 2) |
Methyl | 100.0 % (168 of 168) | 100.0 % (84 of 84) | 100.0 % (84 of 84) |
1. Receiver Domain of NtrC
MQRGIVWVVD DDSSIRWVLE RALAGAGLTC TTFENGNEVL AALASKTPDV LLSDIRMPGM DGLALLKQIK QRHPMLPVII MTAHSDLDAA VSAYQQGAFD YLPKPFDIDE AVALVERAIS HYQESolvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.75
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Receiver Domain of NtrC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
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 |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.75
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Receiver Domain of NtrC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.75
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Receiver Domain of NtrC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.75
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Receiver Domain of NtrC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.75
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Receiver Domain of NtrC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.75
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Receiver Domain of NtrC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.75
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Receiver Domain of NtrC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.75
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Receiver Domain of NtrC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.75
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Receiver Domain of NtrC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.75
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Receiver Domain of NtrC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.75
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Receiver Domain of NtrC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.75
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Receiver Domain of NtrC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.75
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Receiver Domain of NtrC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.75
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Receiver Domain of NtrC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.75
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Receiver Domain of NtrC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.75
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Receiver Domain of NtrC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25125_2msl.nef |
Input source #2: Coordindates | 2msl.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--------70--------80--------90-------100 MQRGIVWVVDDDSSIRWVLERALAGAGLTCTTFENGNEVLAALASKTPDVLLSDIRMPGMDGLALLKQIKQRHPMLPVIIMTAHSDLDAAVSAYQQGAFD |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MQRGIVWVVDDDSSIRWVLERALAGAGLTCTTFENGNEVLAALASKTPDVLLSDIRMPGMDGLALLKQIKQRHPMLPVIIMTAHSDLDAAVSAYQQGAFD -------110-------120---- YLPKPFDIDEAVALVERAISHYQE |||||||||||||||||||||||| YLPKPFDIDEAVALVERAISHYQE
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 124 | 0 | 0 | 100.0 |
Content subtype: combined_25125_2msl.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MQRGIVWVVDDDSSIRWVLERALAGAGLTCTTFENGNEVLAALASKTPDVLLSDIRMPGMDGLALLKQIKQRHPMLPVIIMTAHSDLDAAVSAYQQGAFD |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MQRGIVWVVDDDSSIRWVLERALAGAGLTCTTFENGNEVLAALASKTPDVLLSDIRMPGMDGLALLKQIKQRHPMLPVIIMTAHSDLDAAVSAYQQGAFD -------110-------120---- YLPKPFDIDEAVALVERAISHYQE |||||||||||||||||||||||| YLPKPFDIDEAVALVERAISHYQE
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
53 | SER | HG | 3.968 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 722 | 712 | 98.6 |
13C chemical shifts | 557 | 542 | 97.3 |
15N chemical shifts | 134 | 124 | 92.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 249 | 245 | 98.4 |
13C chemical shifts | 248 | 233 | 94.0 |
15N chemical shifts | 118 | 114 | 96.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 473 | 467 | 98.7 |
13C chemical shifts | 309 | 309 | 100.0 |
15N chemical shifts | 16 | 10 | 62.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 89 | 89 | 100.0 |
13C chemical shifts | 89 | 89 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 45 | 45 | 100.0 |
13C chemical shifts | 43 | 43 | 100.0 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MQRGIVWVVDDDSSIRWVLERALAGAGLTCTTFENGNEVLAALASKTPDVLLSDIRMPGMDGLALLKQIKQRHPMLPVIIMTAHSDLDAAVSAYQQGAFD |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MQRGIVWVVDDDSSIRWVLERALAGAGLTCTTFENGNEVLAALASKTPDVLLSDIRMPGMDGLALLKQIKQRHPMLPVIIMTAHSDLDAAVSAYQQGAFD -------110-------120---- YLPKPFDIDEAVALVERAISHYQE |||||||||||||||||||||||| YLPKPFDIDEAVALVERAISHYQE
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MQRGIVWVVDDDSSIRWVLERALAGAGLTCTTFENGNEVLAALASKTPDVLLSDIRMPGMDGLALLKQIKQRHPMLPVIIMTAHSDLDAAVSAYQQGAFD |||||| ||||||||||||||| |||||| |||||||||| | | ||||||||||| ||||||||| ||||||||||||| ...GIVWVV..DSSIRWVLERALAGA.LTCTTF..GNEVLAALAS.T.......I......GLALLKQIKQR.PMLPVIIMT...DLDAAVSAYQQGA.. --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120---- YLPKPFDIDEAVALVERAISHYQE || ||||||||||||||||| YL...FDIDEAVALVERAISHY -------110-------120--