Resonance assignments for C-terminal DNA-binding domain of RstA protein from Klebsiella pneumonia
MHHHHHHAMG TLTPHKTISF GSLTIDPVNR QVLLGGENVA LSTADFDLLW ELATHAGQIM DRDALLKNLR GVTYDGMDRS VDVAISRLRK KLLDNATEPY RIKTVRNKGY LFAPHAWDN
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 75.3 % (1035 of 1375) | 75.6 % (535 of 708) | 73.1 % (396 of 542) | 83.2 % (104 of 125) |
Backbone | 86.5 % (611 of 706) | 86.8 % (210 of 242) | 85.4 % (298 of 349) | 89.6 % (103 of 115) |
Sidechain | 66.5 % (519 of 780) | 69.7 % (325 of 466) | 63.5 % (193 of 304) | 10.0 % (1 of 10) |
Aromatic | 24.6 % (28 of 114) | 33.3 % (19 of 57) | 16.4 % (9 of 55) | 0.0 % (0 of 2) |
Methyl | 84.2 % (123 of 146) | 95.9 % (70 of 73) | 72.6 % (53 of 73) |
1. RstA C
MHHHHHHAMG TLTPHKTISF GSLTIDPVNR QVLLGGENVA LSTADFDLLW ELATHAGQIM DRDALLKNLR GVTYDGMDRS VDVAISRLRK KLLDNATEPY RIKTVRNKGY LFAPHAWDNSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RstA_C | [U-13C; U-15N] | 0.1-1.0 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 - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RstA_C | [U-13C; U-15N] | 0.1-1.0 mM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RstA_C | [U-13C; U-15N] | 0.1-1.0 mM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RstA_C | [U-13C; U-15N] | 0.1-1.0 mM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RstA_C | [U-13C; U-15N] | 0.1-1.0 mM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RstA_C | [U-13C; U-15N] | 0.1-1.0 mM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RstA_C | [U-13C; U-15N] | 0.1-1.0 mM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RstA_C | [U-13C; U-15N] | 0.1-1.0 mM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RstA_C | [U-13C; U-15N] | 0.1-1.0 mM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RstA_C | [U-13C; U-15N] | 0.1-1.0 mM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RstA_C | [U-13C; U-15N] | 0.1-1.0 mM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RstA_C | [U-13C; U-15N] | 0.1-1.0 mM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RstA_C | [U-13C; U-15N] | 0.1-1.0 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_18200_2mlk.nef |
Input source #2: Coordindates | 2mlk.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
-------130-------140-------150-------160-------170-------180-------190-------200-------210-------220 MHHHHHHAMGTLTPHKTISFGSLTIDPVNRQVLLGGENVALSTADFDLLWELATHAGQIMDRDALLKNLRGVTYDGMDRSVDVAISRLRKKLLDNATEPY |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MHHHHHHAMGTLTPHKTISFGSLTIDPVNRQVLLGGENVALSTADFDLLWELATHAGQIMDRDALLKNLRGVTYDGMDRSVDVAISRLRKKLLDNATEPY --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------230--------- RIKTVRNKGYLFAPHAWDN ||||||||||||||||||| RIKTVRNKGYLFAPHAWDN -------110---------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 119 | 0 | 0 | 100.0 |
Content subtype: combined_18200_2mlk.nef
Assigned chemical shifts
-------130-------140-------150-------160-------170-------180-------190-------200-------210-------220 MHHHHHHAMGTLTPHKTISFGSLTIDPVNRQVLLGGENVALSTADFDLLWELATHAGQIMDRDALLKNLRGVTYDGMDRSVDVAISRLRKKLLDNATEPY |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||| ||| | .......AMGTLTPHKTISFGSLTIDPVNRQVLLGGENVALSTADFDLLWELATHAGQIMDRDALLKNLRGVTYDGMDRSVDVAI.RLRKKLLD.ATE.Y -------130-------140-------150-------160-------170-------180-------190-------200-------210-------220 -------230--------- RIKTVRNKGYLFAPHAWDN | ||||||||||| || R.KTVRNKGYLFA.HA -------230------
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
133 | THR | HG1 | 4.106 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 708 | 540 | 76.3 |
13C chemical shifts | 542 | 389 | 71.8 |
15N chemical shifts | 133 | 103 | 77.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 242 | 214 | 88.4 |
13C chemical shifts | 238 | 205 | 86.1 |
15N chemical shifts | 115 | 102 | 88.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 466 | 326 | 70.0 |
13C chemical shifts | 304 | 184 | 60.5 |
15N chemical shifts | 18 | 1 | 5.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 77 | 70 | 90.9 |
13C chemical shifts | 77 | 47 | 61.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 57 | 19 | 33.3 |
13C chemical shifts | 55 | 9 | 16.4 |
15N chemical shifts | 2 | 0 | 0.0 |
Distance restraints
-------130-------140-------150-------160-------170-------180-------190-------200-------210-------220 MHHHHHHAMGTLTPHKTISFGSLTIDPVNRQVLLGGENVALSTADFDLLWELATHAGQIMDRDALLKNLRGVTYDGMDRSVDVAISRLRKKLLDNATEPY |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||| ||| | .........GTLTPHKTISFGSLTIDPVNRQVLLGGENVALSTADFDLLWELATHAGQIMDRDALLKNLRGVTYDGMDRSVDVAI.RLRKKLLD.ATE.Y -------130-------140-------150-------160-------170-------180-------190-------200-------210-------220 -------230--------- RIKTVRNKGYLFAPHAWDN | ||||||||||| || R.KTVRNKGYLFA.HA -------230------