NMR structure of Plantaricin K in DPC-micelles
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 74.2 % (267 of 360) | 94.7 % (179 of 189) | 40.9 % (56 of 137) | 94.1 % (32 of 34) |
Backbone | 74.5 % (143 of 192) | 94.3 % (66 of 70) | 50.0 % (45 of 90) | 100.0 % (32 of 32) |
Sidechain | 73.2 % (142 of 194) | 95.0 % (113 of 119) | 39.7 % (29 of 73) | 0.0 % (0 of 2) |
Aromatic | 52.9 % (18 of 34) | 94.1 % (16 of 17) | 11.8 % (2 of 17) | |
Methyl | 75.0 % (21 of 28) | 100.0 % (14 of 14) | 50.0 % (7 of 14) |
1. PlnK
RRSRKNGIGY AIGYAFGAVE RAVLGGSRDY NKSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 312 K, pH 2.5, Details PlnK in DPC-micelles
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PlnK | natural abundance | 1 mM | |
2 | DPC | [U-99% 2H] | 170 mM | |
3 | TFA | natural abundance | 0.1 % | |
4 | D2O | natural abundance | 10 % | |
5 | H2O | natural abundance | 90 % | |
6 | DSS | natural abundance | 0.2 mM |
Bruker Avance - 600 MHz Avance II UiO Bruker Avance II University of Oslo Cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 312 K, pH 2.5, Details PlnK in DPC-micelles
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PlnK | natural abundance | 1 mM | |
2 | DPC | [U-99% 2H] | 170 mM | |
3 | TFA | natural abundance | 0.1 % | |
4 | D2O | natural abundance | 10 % | |
5 | H2O | natural abundance | 90 % | |
6 | DSS | natural abundance | 0.2 mM |
Bruker Avance - 600 MHz Avance II UiO Bruker Avance II University of Oslo Cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 312 K, pH 2.5, Details PlnK in DPC-micelles
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PlnK | natural abundance | 1 mM | |
2 | DPC | [U-99% 2H] | 170 mM | |
3 | TFA | natural abundance | 0.1 % | |
4 | D2O | natural abundance | 10 % | |
5 | H2O | natural abundance | 90 % | |
6 | DSS | natural abundance | 0.2 mM |
Bruker Avance - 600 MHz Avance II UiO Bruker Avance II University of Oslo Cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 312 K, pH 2.5, Details PlnK in DPC-micelles
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PlnK | natural abundance | 1 mM | |
2 | DPC | [U-99% 2H] | 170 mM | |
3 | TFA | natural abundance | 0.1 % | |
4 | D2O | natural abundance | 10 % | |
5 | H2O | natural abundance | 90 % | |
6 | DSS | natural abundance | 0.2 mM |
Bruker Avance - 600 MHz Avance II UiO Bruker Avance II University of Oslo Cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 312 K, pH 2.5, Details PlnK in DPC-micelles
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PlnK | natural abundance | 1 mM | |
2 | DPC | [U-99% 2H] | 170 mM | |
3 | TFA | natural abundance | 0.1 % | |
4 | D2O | natural abundance | 10 % | |
5 | H2O | natural abundance | 90 % | |
6 | DSS | natural abundance | 0.2 mM |
Bruker Avance - 600 MHz Avance II UiO Bruker Avance II University of Oslo Cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 312 K, pH 2.5, Details PlnK in DPC-micelles
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PlnK | natural abundance | 1 mM | |
2 | DPC | [U-99% 2H] | 170 mM | |
3 | TFA | natural abundance | 0.1 % | |
4 | D2O | natural abundance | 10 % | |
5 | H2O | natural abundance | 90 % | |
6 | DSS | natural abundance | 0.2 mM |
Bruker Avance - 600 MHz Avance II UiO Bruker Avance II University of Oslo Cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 312 K, pH 2.5, Details PlnK in DPC-micelles
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PlnK | natural abundance | 1 mM | |
2 | DPC | [U-99% 2H] | 170 mM | |
3 | TFA | natural abundance | 0.1 % | |
4 | D2O | natural abundance | 10 % | |
5 | H2O | natural abundance | 90 % | |
6 | DSS | natural abundance | 0.2 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_16148_2keg.nef |
Input source #2: Coordindates | 2keg.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_16148_2keg.nef
Assigned chemical shifts
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 189 | 178 | 94.2 |
13C chemical shifts | 137 | 50 | 36.5 |
15N chemical shifts | 39 | 31 | 79.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 70 | 65 | 92.9 |
13C chemical shifts | 64 | 24 | 37.5 |
15N chemical shifts | 32 | 31 | 96.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 119 | 113 | 95.0 |
13C chemical shifts | 73 | 26 | 35.6 |
15N chemical shifts | 7 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 14 | 14 | 100.0 |
13C chemical shifts | 14 | 7 | 50.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 17 | 16 | 94.1 |
13C chemical shifts | 17 | 0 | 0.0 |
Distance restraints
Dihedral angle restraints
--------10--------20--------30-- RRSRKNGIGYAIGYAFGAVERAVLGGSRDYNK |||||| | | | | | ||| || |||||| RRSRKN.I.Y.I.Y.F..VER.VL..SRDYNK