Recombinant melittin
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 87.1 % (278 of 319) | 94.6 % (158 of 167) | 75.8 % (94 of 124) | 92.9 % (26 of 28) |
Backbone | 81.2 % (125 of 154) | 96.3 % (52 of 54) | 66.7 % (50 of 75) | 92.0 % (23 of 25) |
Sidechain | 93.6 % (176 of 188) | 93.8 % (106 of 113) | 93.1 % (67 of 72) | 100.0 % (3 of 3) |
Aromatic | 16.7 % (2 of 12) | 16.7 % (1 of 6) | 0.0 % (0 of 5) | 100.0 % (1 of 1) |
Methyl | 100.0 % (44 of 44) | 100.0 % (22 of 22) | 100.0 % (22 of 22) |
1. Melittin
GIGAVLKVLT TGLPALISWI KRKRQQSolvent system trifluoroethanol/water, Pressure 1 atm, Temperature 298 K, pH 7, Details 0.05 mM [U-95% 13C; U-95% 15N] melittin, 10% w/v deuterated glycerol (to increase viscosity), 30% v/v deuterated trifluoroethanol (to stabilize helical structure), and 10% v/v deuterium oxide in 10 mM potassium phosphate buffer at pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | melittin | [U-95% 13C; U-95% 15N] | 0.05 mM | |
2 | glycerol | [U-2H] | 10 % v/v | |
3 | potassium phosphate buffer | natural abundance | 10 mM |
Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 298 K, pH 7, Details 0.050 mM [U-95% 13C; U-95% 15N] Melittin, 30% v/v deuterated trifluoroethanol (to stabilize helical structure), and 10% v/v deuterium oxide in 10 mM potassium phosphate buffer at pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | Melittin | [U-95% 13C; U-95% 15N] | 0.050 mM | |
5 | potassium phosphate buffer | natural abundance | 10 mM |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 285 K, pH 7, Details 0.05 mM [U-95% 13C; U-95% 15N] melittin, 10% w/v deuterated glycerol (to increase viscosity), 30% v/v deuterated trifluoroethanol (to stabilize helical structure), and 10% v/v deuterium oxide in 10 mM potassium phosphate buffer at pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | melittin | [U-95% 13C; U-95% 15N] | 0.05 mM | |
2 | glycerol | [U-2H] | 10 % v/v | |
3 | potassium phosphate buffer | natural abundance | 10 mM |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 285 K, pH 7, Details 0.05 mM [U-95% 13C; U-95% 15N] melittin, 10% w/v deuterated glycerol (to increase viscosity), 30% v/v deuterated trifluoroethanol (to stabilize helical structure), and 10% v/v deuterium oxide in 10 mM potassium phosphate buffer at pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | melittin | [U-95% 13C; U-95% 15N] | 0.05 mM | |
2 | glycerol | [U-2H] | 10 % v/v | |
3 | potassium phosphate buffer | natural abundance | 10 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 298 K, pH 7, Details 0.05 mM [U-95% 13C; U-95% 15N] melittin, 10% w/v deuterated glycerol (to increase viscosity), 30% v/v deuterated trifluoroethanol (to stabilize helical structure), and 10% v/v deuterium oxide in 10 mM potassium phosphate buffer at pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | melittin | [U-95% 13C; U-95% 15N] | 0.05 mM | |
2 | glycerol | [U-2H] | 10 % v/v | |
3 | potassium phosphate buffer | natural abundance | 10 mM |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 298 K, pH 7, Details 0.050 mM [U-95% 13C; U-95% 15N] Melittin, 30% v/v deuterated trifluoroethanol (to stabilize helical structure), and 10% v/v deuterium oxide in 10 mM potassium phosphate buffer at pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | Melittin | [U-95% 13C; U-95% 15N] | 0.050 mM | |
5 | potassium phosphate buffer | natural abundance | 10 mM |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 298 K, pH 7, Details 0.050 mM [U-95% 13C; U-95% 15N] Melittin, 30% v/v deuterated trifluoroethanol (to stabilize helical structure), and 10% v/v deuterium oxide in 10 mM potassium phosphate buffer at pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | Melittin | [U-95% 13C; U-95% 15N] | 0.050 mM | |
5 | potassium phosphate buffer | natural abundance | 10 mM |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 285 K, pH 7, Details 0.05 mM [U-95% 13C; U-95% 15N] melittin, 10% w/v deuterated glycerol (to increase viscosity), 30% v/v deuterated trifluoroethanol (to stabilize helical structure), and 10% v/v deuterium oxide in 10 mM potassium phosphate buffer at pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | melittin | [U-95% 13C; U-95% 15N] | 0.05 mM | |
2 | glycerol | [U-2H] | 10 % v/v | |
3 | potassium phosphate buffer | natural abundance | 10 mM |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 298 K, pH 7, Details 0.050 mM [U-95% 13C; U-95% 15N] Melittin, 30% v/v deuterated trifluoroethanol (to stabilize helical structure), and 10% v/v deuterium oxide in 10 mM potassium phosphate buffer at pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | Melittin | [U-95% 13C; U-95% 15N] | 0.050 mM | |
5 | potassium phosphate buffer | natural abundance | 10 mM |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 285 K, pH 7, Details 0.05 mM [U-95% 13C; U-95% 15N] melittin, 10% w/v deuterated glycerol (to increase viscosity), 30% v/v deuterated trifluoroethanol (to stabilize helical structure), and 10% v/v deuterium oxide in 10 mM potassium phosphate buffer at pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | melittin | [U-95% 13C; U-95% 15N] | 0.05 mM | |
2 | glycerol | [U-2H] | 10 % v/v | |
3 | potassium phosphate buffer | natural abundance | 10 mM |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 298 K, pH 7, Details 0.050 mM [U-95% 13C; U-95% 15N] Melittin, 30% v/v deuterated trifluoroethanol (to stabilize helical structure), and 10% v/v deuterium oxide in 10 mM potassium phosphate buffer at pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | Melittin | [U-95% 13C; U-95% 15N] | 0.050 mM | |
5 | potassium phosphate buffer | natural abundance | 10 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_30481_6dst.nef |
Input source #2: Coordindates | 6dst.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------ GIGAVLKVLTTGLPALISWIKRKRQQ |||||||||||||||||||||||||| GIGAVLKVLTTGLPALISWIKRKRQQ
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 26 | 0 | 0 | 100.0 |
Content subtype: combined_30481_6dst.nef
Assigned chemical shifts
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 167 | 158 | 94.6 |
13C chemical shifts | 124 | 93 | 75.0 |
15N chemical shifts | 30 | 26 | 86.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 54 | 52 | 96.3 |
13C chemical shifts | 52 | 26 | 50.0 |
15N chemical shifts | 25 | 23 | 92.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 113 | 106 | 93.8 |
13C chemical shifts | 72 | 67 | 93.1 |
15N chemical shifts | 5 | 3 | 60.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 22 | 22 | 100.0 |
13C chemical shifts | 22 | 22 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 6 | 1 | 16.7 |
13C chemical shifts | 5 | 0 | 0.0 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20------ GIGAVLKVLTTGLPALISWIKRKRQQ ||||||||||||||||||||||||| .IGAVLKVLTTGLPALISWIKRKRQQ
Dihedral angle restraints
--------10--------20------ GIGAVLKVLTTGLPALISWIKRKRQQ |||||||||||||||||||||||||| GIGAVLKVLTTGLPALISWIKRKRQQ