a new lasso peptide koreensin
Polymer type: polypeptide(L)
Total | 1H | 13C | |
---|---|---|---|
All | 99.4 % (158 of 159) | 100.0 % (91 of 91) | 98.5 % (67 of 68) |
Backbone | 98.8 % (82 of 83) | 100.0 % (37 of 37) | 97.8 % (45 of 46) |
Sidechain | 100.0 % (88 of 88) | 100.0 % (54 of 54) | 100.0 % (34 of 34) |
Aromatic | 100.0 % (10 of 10) | 100.0 % (5 of 5) | 100.0 % (5 of 5) |
Methyl | 100.0 % (14 of 14) | 100.0 % (7 of 7) | 100.0 % (7 of 7) |
1. lasso peptide koreensin
GPKGDFPDVG DGRILAGSolvent system DMSO, Pressure 1 atm, Temperature 298 K, Details 3.0 mg/mL non labeled koreensin, DMSO
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | koreensin | natural abundance | protein | 3.0 mg/mL |
2 | DMSO-d6 | [U-2H] | solvent | 100 % |
Bruker AVANCE III - 800 MHz
State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 298 K, Details 3.0 mg/mL non labeled koreensin, DMSO
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | koreensin | natural abundance | protein | 3.0 mg/mL |
2 | DMSO-d6 | [U-2H] | solvent | 100 % |
Bruker AVANCE III - 800 MHz
State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 298 K, Details 3.0 mg/mL non labeled koreensin, DMSO
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | koreensin | natural abundance | protein | 3.0 mg/mL |
2 | DMSO-d6 | [U-2H] | solvent | 100 % |
Bruker AVANCE III - 800 MHz
State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 298 K, Details 3.0 mg/mL non labeled koreensin, DMSO
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | koreensin | natural abundance | protein | 3.0 mg/mL |
2 | DMSO-d6 | [U-2H] | solvent | 100 % |
Bruker AVANCE III - 800 MHz
State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 298 K, Details 3.0 mg/mL non labeled koreensin, DMSO
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | koreensin | natural abundance | protein | 3.0 mg/mL |
2 | DMSO-d6 | [U-2H] | solvent | 100 % |
Bruker AVANCE - 600 MHz
State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 298 K, Details 3.0 mg/mL non labeled koreensin, DMSO
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | koreensin | natural abundance | protein | 3.0 mg/mL |
2 | DMSO-d6 | [U-2H] | solvent | 100 % |
Bruker AVANCE III - 800 MHz
State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 298 K, Details 3.0 mg/mL non labeled koreensin, DMSO
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | koreensin | natural abundance | protein | 3.0 mg/mL |
2 | DMSO-d6 | [U-2H] | solvent | 100 % |
Bruker AVANCE III - 800 MHz
State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 298 K, Details 3.0 mg/mL non labeled koreensin, DMSO
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | koreensin | natural abundance | protein | 3.0 mg/mL |
2 | DMSO-d6 | [U-2H] | solvent | 100 % |
Bruker AVANCE III - 800 MHz
State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 298 K, Details 3.0 mg/mL non labeled koreensin, DMSO
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | koreensin | natural abundance | protein | 3.0 mg/mL |
2 | DMSO-d6 | [U-2H] | solvent | 100 % |
Bruker AVANCE III - 800 MHz
State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 298 K, Details 3.0 mg/mL non labeled koreensin, DMSO
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | koreensin | natural abundance | protein | 3.0 mg/mL |
2 | DMSO-d6 | [U-2H] | solvent | 100 % |
Bruker AVANCE III - 800 MHz
State isotropic, Solvent system DMSO, Pressure 1 atm, Temperature 298 K, Details 3.0 mg/mL non labeled koreensin, DMSO
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | koreensin | natural abundance | protein | 3.0 mg/mL |
2 | DMSO-d6 | [U-2H] | solvent | 100 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_36343_7bw5.nef |
Input source #2: Coordindates | 7bw5.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------- GPKGDFPDVGDGRILAG ||||||||||||||||| GPKGDFPDVGDGRILAG
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 17 | 0 | 0 | 100.0 |
Content subtype: combined_36343_7bw5.nef
Assigned chemical shifts
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
3 | LYS | HZ1 | 7.65 |
3 | LYS | HZ2 | 7.65 |
3 | LYS | HZ3 | 7.65 |
5 | ASP | CG | 171.7 |
6 | PHE | CG | 137.4 |
8 | ASP | CG | 170.1 |
11 | ASP | CG | 172.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 91 | 90 | 98.9 |
13C chemical shifts | 68 | 67 | 98.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 37 | 36 | 97.3 |
13C chemical shifts | 34 | 33 | 97.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 54 | 54 | 100.0 |
13C chemical shifts | 34 | 34 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 7 | 7 | 100.0 |
13C chemical shifts | 7 | 7 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 5 | 5 | 100.0 |
13C chemical shifts | 5 | 5 | 100.0 |
Distance restraints
--------10------- GPKGDFPDVGDGRILAG ||||||||||||||||| GPKGDFPDVGDGRILAG
Dihedral angle restraints
--------10------- GPKGDFPDVGDGRILAG || || ||||||||| .PK.DF.DVGDGRILA --------10------