Backbone 1H, 13C, and 15N Chemical Shift Assignments for E.coli Ribonuclease P protein
MVKLAFPREL RLLTPSQFTF VFQQPQRAGT PQITILGRLN SLGHPRIGLT VAKKNVRRAH ERNRIKRLTR ESFRLRQHEL PAMDFVVVAK KGVADLDNRA LSEALEKLWR RHCRLARGS
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 66.8 % (973 of 1457) | 66.6 % (514 of 772) | 61.1 % (343 of 561) | 93.5 % (116 of 124) |
Backbone | 76.6 % (538 of 702) | 91.6 % (218 of 238) | 60.7 % (213 of 351) | 94.7 % (107 of 113) |
Sidechain | 61.9 % (537 of 868) | 55.4 % (296 of 534) | 71.8 % (232 of 323) | 81.8 % (9 of 11) |
Aromatic | 9.1 % (8 of 88) | 11.4 % (5 of 44) | 4.7 % (2 of 43) | 100.0 % (1 of 1) |
Methyl | 68.8 % (99 of 144) | 63.9 % (46 of 72) | 73.6 % (53 of 72) |
1. E.coli Ribonuclease P protein
MVKLAFPREL RLLTPSQFTF VFQQPQRAGT PQITILGRLN SLGHPRIGLT VAKKNVRRAH ERNRIKRLTR ESFRLRQHEL PAMDFVVVAK KGVADLDNRA LSEALEKLWR RHCRLARGSSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Ribonuclease P protein | [U-95% 13C; U-95% 15N] | 0.8 (±0.2) mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | Sodium Phosphate | natural abundance | 25 mM | |
5 | Sodium Chloride | natural abundance | 200 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 |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Ribonuclease P protein | [U-95% 13C; U-95% 15N] | 0.8 (±0.2) mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | Sodium Phosphate | natural abundance | 25 mM | |
5 | Sodium Chloride | natural abundance | 200 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Ribonuclease P protein | [U-95% 13C; U-95% 15N] | 0.8 (±0.2) mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | Sodium Phosphate | natural abundance | 25 mM | |
5 | Sodium Chloride | natural abundance | 200 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Ribonuclease P protein | [U-95% 13C; U-95% 15N] | 0.8 (±0.2) mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | Sodium Phosphate | natural abundance | 25 mM | |
5 | Sodium Chloride | natural abundance | 200 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Ribonuclease P protein | [U-95% 13C; U-95% 15N] | 0.8 (±0.2) mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | Sodium Phosphate | natural abundance | 25 mM | |
5 | Sodium Chloride | natural abundance | 200 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Ribonuclease P protein | [U-95% 13C; U-95% 15N] | 0.8 (±0.2) mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | Sodium Phosphate | natural abundance | 25 mM | |
5 | Sodium Chloride | natural abundance | 200 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Ribonuclease P protein | [U-95% 13C; U-95% 15N] | 0.8 (±0.2) mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | Sodium Phosphate | natural abundance | 25 mM | |
5 | Sodium Chloride | natural abundance | 200 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Ribonuclease P protein | [U-95% 13C; U-95% 15N] | 0.8 (±0.2) mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | Sodium Phosphate | natural abundance | 25 mM | |
5 | Sodium Chloride | natural abundance | 200 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Ribonuclease P protein | [U-95% 13C; U-95% 15N] | 0.8 (±0.2) mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | Sodium Phosphate | natural abundance | 25 mM | |
5 | Sodium Chloride | natural abundance | 200 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Ribonuclease P protein | [U-95% 13C; U-95% 15N] | 0.8 (±0.2) mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | Sodium Phosphate | natural abundance | 25 mM | |
5 | Sodium Chloride | natural abundance | 200 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Ribonuclease P protein | [U-95% 13C; U-95% 15N] | 0.8 (±0.2) mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | Sodium Phosphate | natural abundance | 25 mM | |
5 | Sodium Chloride | natural abundance | 200 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Ribonuclease P protein | [U-95% 13C; U-95% 15N] | 0.8 (±0.2) mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | Sodium Phosphate | natural abundance | 25 mM | |
5 | Sodium Chloride | natural abundance | 200 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Dihedral angle restraints | combined_17952_2ljp.nef |
Input source #2: Coordindates | 2ljp.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 MVKLAFPRELRLLTPSQFTFVFQQPQRAGTPQITILGRLNSLGHPRIGLTVAKKNVRRAHERNRIKRLTRESFRLRQHELPAMDFVVVAKKGVADLDNRA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MVKLAFPRELRLLTPSQFTFVFQQPQRAGTPQITILGRLNSLGHPRIGLTVAKKNVRRAHERNRIKRLTRESFRLRQHELPAMDFVVVAKKGVADLDNRA -------110--------- LSEALEKLWRRHCRLARGS ||||||||||||||||||| LSEALEKLWRRHCRLARGS
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_17952_2ljp.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MVKLAFPRELRLLTPSQFTFVFQQPQRAGTPQITILGRLNSLGHPRIGLTVAKKNVRRAHERNRIKRLTRESFRLRQHELPAMDFVVVAKKGVADLDNRA |||||||||||| ||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||| ..KLAFPRELRLLT.SQFTFVFQQPQRAGTPQITILGRLNSLGHPRIGLTVAKKNVRR.HERNRIKRLTRESFRLRQHELPAMDFVVVAKKGVADLDNRA -------110--------- LSEALEKLWRRHCRLARGS ||||||||||||||||||| LSEALEKLWRRHCRLARGS
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 561 | 312 | 55.6 |
1H chemical shifts | 772 | 476 | 61.7 |
15N chemical shifts | 142 | 116 | 81.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 238 | 92 | 38.7 |
1H chemical shifts | 238 | 216 | 90.8 |
15N chemical shifts | 113 | 107 | 94.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 323 | 220 | 68.1 |
1H chemical shifts | 534 | 260 | 48.7 |
15N chemical shifts | 29 | 9 | 31.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 74 | 51 | 68.9 |
1H chemical shifts | 74 | 42 | 56.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 43 | 0 | 0.0 |
1H chemical shifts | 44 | 1 | 2.3 |
15N chemical shifts | 1 | 1 | 100.0 |
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MVKLAFPRELRLLTPSQFTFVFQQPQRAGTPQITILGRLNSLGHPRIGLTVAKKNVRRAHERNRIKRLTRESFRLRQHELPAMDFVVVAKKGVADLDNRA ||||||||||| |||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||| ||||||||||||||||||| ...LAFPRELRLLT.SQFTFVFQQPQRAGTPQITILGRLNSLG.PRIGLTVAKKNVRRAHERNRIKRLTRESFRLRQHE..AMDFVVVAKKGVADLDNRA --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110--------- LSEALEKLWRRHCRLARGS |||||||||||||||||| LSEALEKLWRRHCRLARG -------110--------