Plantaricin K in TFE
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 89.2 % (321 of 360) | 98.9 % (187 of 189) | 75.2 % (103 of 137) | 91.2 % (31 of 34) |
Backbone | 85.4 % (164 of 192) | 98.6 % (69 of 70) | 73.3 % (66 of 90) | 90.6 % (29 of 32) |
Sidechain | 93.3 % (181 of 194) | 99.2 % (118 of 119) | 83.6 % (61 of 73) | 100.0 % (2 of 2) |
Aromatic | 76.5 % (26 of 34) | 100.0 % (17 of 17) | 52.9 % (9 of 17) | |
Methyl | 96.4 % (27 of 28) | 100.0 % (14 of 14) | 92.9 % (13 of 14) |
1. PlnK
RRSRKNGIGY AIGYAFGAVE RAVLGGSRDY NKSolvent system trifluoroethanol/water, Pressure 1 atm, Temperature 312 K, pH 2.5, Details PlnK in TFE
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PlnK | natural abundance | 1 mM | |
2 | TFE | [U-99% 2H] | 90 % | |
3 | H2O | natural abundance | 10 % | |
4 | TFA | natural abundance | 0.1 % | |
5 | DSS | natural abundance | 0.2 mM |
Bruker Avance - 600 MHz Avance II UiO Bruker Avance II University of Oslo Cryoprobe
State isotropic, Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 312 K, pH 2.5, Details PlnK in TFE
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PlnK | natural abundance | 1 mM | |
2 | TFE | [U-99% 2H] | 90 % | |
3 | H2O | natural abundance | 10 % | |
4 | TFA | natural abundance | 0.1 % | |
5 | DSS | natural abundance | 0.2 mM |
Bruker Avance - 600 MHz Avance II UiO Bruker Avance II University of Oslo Cryoprobe
State isotropic, Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 312 K, pH 2.5, Details PlnK in TFE
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PlnK | natural abundance | 1 mM | |
2 | TFE | [U-99% 2H] | 90 % | |
3 | H2O | natural abundance | 10 % | |
4 | TFA | natural abundance | 0.1 % | |
5 | DSS | natural abundance | 0.2 mM |
Bruker Avance - 600 MHz Avance II UiO Bruker Avance II University of Oslo Cryoprobe
State isotropic, Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 312 K, pH 2.5, Details PlnK in TFE
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PlnK | natural abundance | 1 mM | |
2 | TFE | [U-99% 2H] | 90 % | |
3 | H2O | natural abundance | 10 % | |
4 | TFA | natural abundance | 0.1 % | |
5 | DSS | natural abundance | 0.2 mM |
Bruker Avance - 600 MHz Avance II UiO Bruker Avance II University of Oslo Cryoprobe
State isotropic, Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 312 K, pH 2.5, Details PlnK in TFE
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PlnK | natural abundance | 1 mM | |
2 | TFE | [U-99% 2H] | 90 % | |
3 | H2O | natural abundance | 10 % | |
4 | TFA | natural abundance | 0.1 % | |
5 | DSS | natural abundance | 0.2 mM |
Bruker Avance - 600 MHz Avance II UiO Bruker Avance II University of Oslo Cryoprobe
State isotropic, Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 312 K, pH 2.5, Details PlnK in TFE
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PlnK | natural abundance | 1 mM | |
2 | TFE | [U-99% 2H] | 90 % | |
3 | H2O | natural abundance | 10 % | |
4 | TFA | natural abundance | 0.1 % | |
5 | DSS | natural abundance | 0.2 mM |
Bruker Avance - 600 MHz Avance II UiO Bruker Avance II University of Oslo Cryoprobe
State isotropic, Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 312 K, pH 2.5, Details PlnK in TFE
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PlnK | natural abundance | 1 mM | |
2 | TFE | [U-99% 2H] | 90 % | |
3 | H2O | natural abundance | 10 % | |
4 | TFA | natural abundance | 0.1 % | |
5 | DSS | natural abundance | 0.2 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_16149_2keh.nef |
Input source #2: Coordindates | 2keh.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-- RRSRKNGIGYAIGYAFGAVERAVLGGSRDYNK |||||||||||||||||||||||||||||||| RRSRKNGIGYAIGYAFGAVERAVLGGSRDYNK
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 32 | 0 | 0 | 100.0 |
Content subtype: combined_16149_2keh.nef
Assigned chemical shifts
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
6 | ASN | CG | 176.757 |
10 | TYR | CG | 130.508 |
10 | TYR | CZ | 157.527 |
14 | TYR | CG | 130.497 |
14 | TYR | CZ | 157.539 |
16 | PHE | CG | 139.105 |
20 | GLU | CD | 178.98 |
29 | ASP | CG | 176.525 |
30 | TYR | CG | 130.503 |
30 | TYR | CZ | 157.515 |
31 | ASN | CG | 177.204 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 189 | 187 | 98.9 |
13C chemical shifts | 137 | 102 | 74.5 |
15N chemical shifts | 39 | 31 | 79.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 70 | 69 | 98.6 |
13C chemical shifts | 64 | 41 | 64.1 |
15N chemical shifts | 32 | 29 | 90.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 119 | 118 | 99.2 |
13C chemical shifts | 73 | 61 | 83.6 |
15N chemical shifts | 7 | 2 | 28.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 14 | 14 | 100.0 |
13C chemical shifts | 14 | 13 | 92.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 17 | 17 | 100.0 |
13C chemical shifts | 17 | 9 | 52.9 |
Distance restraints
--------10--------20--------30-- RRSRKNGIGYAIGYAFGAVERAVLGGSRDYNK |||||||||||||||||||||||||||||||| RRSRKNGIGYAIGYAFGAVERAVLGGSRDYNK
Dihedral angle restraints
--------10--------20--------30-- RRSRKNGIGYAIGYAFGAVERAVLGGSRDYNK ||| ||||||||||||||||| RRS.....GYAIGYAFGAVERAVLG --------10--------20-----