Thurincin H
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 88.1 % (238 of 270) | 90.0 % (117 of 130) | 87.4 % (97 of 111) | 82.8 % (24 of 29) |
Backbone | 93.8 % (152 of 162) | 94.5 % (52 of 55) | 95.0 % (76 of 80) | 88.9 % (24 of 27) |
Sidechain | 83.6 % (112 of 134) | 86.7 % (65 of 75) | 82.5 % (47 of 57) | 0.0 % (0 of 2) |
Aromatic | 8.3 % (2 of 24) | 16.7 % (2 of 12) | 0.0 % (0 of 10) | 0.0 % (0 of 2) |
Methyl | 100.0 % (44 of 44) | 100.0 % (22 of 22) | 100.0 % (22 of 22) |
1. thurincin H
DWTCWSCLVC AACSVELLXL VXAAXGAXTA SSolvent system CD3OH, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | DSS | natural abundance | 100 uM |
Varian INOVA - 800 MHz
State isotropic, Solvent system CD3OH, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | DSS | natural abundance | 100 uM |
Varian INOVA - 800 MHz
State isotropic, Solvent system CD3OH, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | DSS | natural abundance | 100 uM |
Varian INOVA - 800 MHz
State isotropic, Solvent system CD3OH, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | DSS | natural abundance | 100 uM |
Varian INOVA - 500 MHz
State isotropic, Solvent system CD3OH, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | DSS | natural abundance | 100 uM |
Varian INOVA - 800 MHz
State isotropic, Solvent system CD3OH, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | DSS | natural abundance | 100 uM |
Varian INOVA - 800 MHz
State isotropic, Solvent system CD3OH, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | DSS | natural abundance | 100 uM |
Varian INOVA - 800 MHz
State isotropic, Solvent system CD3OH, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | DSS | natural abundance | 100 uM |
Varian INOVA - 800 MHz
State isotropic, Solvent system CD3OH, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | DSS | natural abundance | 100 uM |
Varian INOVA - 800 MHz
State isotropic, Solvent system CD3OH, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | DSS | natural abundance | 100 uM |
Varian INOVA - 800 MHz
State isotropic, Solvent system CD3OH, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | DSS | natural abundance | 100 uM |
Varian INOVA - 800 MHz
State isotropic, Solvent system CD3OH, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | DSS | natural abundance | 100 uM |
Varian INOVA - 800 MHz
State isotropic, Solvent system CD3OH, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | DSS | natural abundance | 100 uM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17583_2lbz.nef |
Input source #2: Coordindates | 2lbz.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 | True (see coodinates for details) |
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)
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Å) |
---|---|---|---|---|
1:18:LEU:C | 1:19:DSG:N | unknown | unknown | n/a |
1:19:DSG:C | 1:20:LEU:N | unknown | unknown | n/a |
1:27:ALA:C | 1:28:DSN:N | unknown | unknown | n/a |
1:28:DSN:C | 1:29:THR:N | unknown | unknown | n/a |
1:13:CYS:SG | 1:19:DSG:CA | unknown | unknown | n/a |
1:4:CYS:SG | 1:28:DSN:CA | unknown | unknown | n/a |
1:21:VAL:C | 1:22:2TL:N | unknown | unknown | n/a |
1:22:2TL:C | 1:23:ALA:N | unknown | unknown | n/a |
1:24:ALA:C | 1:25:2TL:N | unknown | unknown | n/a |
1:25:2TL:C | 1:26:GLY:N | unknown | unknown | n/a |
1:10:CYS:SG | 1:22:2TL:CA | unknown | unknown | n/a |
1:7:CYS:SG | 1:25:2TL:CA | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
A | 19 | DSG | D-ASPARAGINE | Assigned chemical shifts, Distance restraints, Torsion angle restraints, Coordinates |
A | 22 | 2TL | D-allothreonine | Assigned chemical shifts, Distance restraints, Torsion angle restraints, Coordinates |
A | 25 | 2TL | D-allothreonine | Assigned chemical shifts, Distance restraints, Torsion angle restraints, Coordinates |
A | 28 | DSN | D-SERINE | Assigned chemical shifts, Distance restraints, Coordinates |
Sequence alignments
--------10--------20--------30- DWTCWSCLVCAACSVELLXLVXAAXGAXTAS ||||||||||||||||||||||||||||||| DWTCWSCLVCAACSVELLXLVXAAXGAXTAS
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 31 | 0 | 0 | 100.0 |
Content subtype: combined_17583_2lbz.nef
Assigned chemical shifts
Comp_index_ID | Comp_ID |
---|---|
19 | DSG |
22 | 2TL |
25 | 2TL |
28 | DSN |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 130 | 117 | 90.0 |
13C chemical shifts | 111 | 97 | 87.4 |
15N chemical shifts | 29 | 24 | 82.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 55 | 52 | 94.5 |
13C chemical shifts | 54 | 50 | 92.6 |
15N chemical shifts | 27 | 24 | 88.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 75 | 65 | 86.7 |
13C chemical shifts | 57 | 47 | 82.5 |
15N chemical shifts | 2 | 0 | 0.0 |
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 | 12 | 2 | 16.7 |
13C chemical shifts | 10 | 0 | 0.0 |
15N chemical shifts | 2 | 0 | 0.0 |
Covalent bonds
Distance restraints
--------10--------20--------30- DWTCWSCLVCAACSVELLXLVXAAXGAXTAS ||||||||||||| ||||||||||||||||| DWTCWSCLVCAAC.VELLXLVXAAXGAXTAS
Dihedral angle restraints
--------10--------20--------30- DWTCWSCLVCAACSVELLXLVXAAXGAXTAS |||||| |||||||||||| ....WSCLVC...SVELLXLVXAAX --------10--------20-----