1H and 15N assignments of WALP19-P10 peptide in SDS micelles
Polymer type: polypeptide(L)
Total | 1H | 15N | |
---|---|---|---|
All | 95.6 % (129 of 135) | 94.7 % (107 of 113) | 100.0 % (22 of 22) |
Backbone | 100.0 % (56 of 56) | 100.0 % (38 of 38) | 100.0 % (18 of 18) |
Sidechain | 92.4 % (73 of 79) | 92.0 % (69 of 75) | 100.0 % (4 of 4) |
Aromatic | 89.3 % (25 of 28) | 87.5 % (21 of 24) | 100.0 % (4 of 4) |
Methyl | 100.0 % (19 of 19) | 100.0 % (19 of 19) |
1. WALP19-P10
GWWLALALAP ALALALWWASolvent system 90% H2O/10% D2O, Temperature 273 K, pH 6.0, Details Structural studies
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | WALP19-P10 | natural abundance | 7.1 mM | |
2 | SDS | [U-100% 2H] | 465 mM | |
3 | TFE | [U-100% 2H] | 3.4 % | |
4 | H2O | natural abundance | 88.3 % | |
5 | D2O | natural abundance | 8.3 % | |
6 | potassium phosphate | natural abundance | 32 uM |
Solvent system 90% H2O/10% D2O, Temperature 273 K, pH 6.0, Details Relaxation studies (selective 15N labeling)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | WALP19-P10 | [U-100% 15N] | 3.2 mM | |
8 | SDS | [U-100% 2H] | 400 mM | |
9 | TFE | [U-100% 2H] | 3.4 % | |
10 | H2O | natural abundance | 88.3 % | |
11 | D2O | natural abundance | 8.3 % | |
12 | potassium phosphate | natural abundance | 32 uM |
Solvent system 90% H2O/10% D2O, Temperature 273 K, pH 6.0, Details Relaxation studies (selective 15N labeling)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | WALP19-P10 | [U-100% 15N] | 3.2 mM | |
14 | SDS | [U-100% 2H] | 400 mM | |
15 | TFE | [U-100% 2H] | 3.4 % | |
16 | H2O | natural abundance | 88.3 % | |
17 | D2O | natural abundance | 8.3 % | |
18 | potassium phosphate | natural abundance | 32 uM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 273 K, pH 6.0, Details Structural studies
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | WALP19-P10 | natural abundance | 7.1 mM | |
2 | SDS | [U-100% 2H] | 465 mM | |
3 | TFE | [U-100% 2H] | 3.4 % | |
4 | H2O | natural abundance | 88.3 % | |
5 | D2O | natural abundance | 8.3 % | |
6 | potassium phosphate | natural abundance | 32 uM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 273 K, pH 6.0, Details Structural studies
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | WALP19-P10 | natural abundance | 7.1 mM | |
2 | SDS | [U-100% 2H] | 465 mM | |
3 | TFE | [U-100% 2H] | 3.4 % | |
4 | H2O | natural abundance | 88.3 % | |
5 | D2O | natural abundance | 8.3 % | |
6 | potassium phosphate | natural abundance | 32 uM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 273 K, pH 6.0, Details Structural studies
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | WALP19-P10 | natural abundance | 7.1 mM | |
2 | SDS | [U-100% 2H] | 465 mM | |
3 | TFE | [U-100% 2H] | 3.4 % | |
4 | H2O | natural abundance | 88.3 % | |
5 | D2O | natural abundance | 8.3 % | |
6 | potassium phosphate | natural abundance | 32 uM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 273 K, pH 6.0, Details Relaxation studies (selective 15N labeling)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | WALP19-P10 | [U-100% 15N] | 3.2 mM | |
8 | SDS | [U-100% 2H] | 400 mM | |
9 | TFE | [U-100% 2H] | 3.4 % | |
10 | H2O | natural abundance | 88.3 % | |
11 | D2O | natural abundance | 8.3 % | |
12 | potassium phosphate | natural abundance | 32 uM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 273 K, pH 6.0, Details Relaxation studies (selective 15N labeling)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | WALP19-P10 | [U-100% 15N] | 3.2 mM | |
8 | SDS | [U-100% 2H] | 400 mM | |
9 | TFE | [U-100% 2H] | 3.4 % | |
10 | H2O | natural abundance | 88.3 % | |
11 | D2O | natural abundance | 8.3 % | |
12 | potassium phosphate | natural abundance | 32 uM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 273 K, pH 6.0, Details Relaxation studies (selective 15N labeling)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | WALP19-P10 | [U-100% 15N] | 3.2 mM | |
8 | SDS | [U-100% 2H] | 400 mM | |
9 | TFE | [U-100% 2H] | 3.4 % | |
10 | H2O | natural abundance | 88.3 % | |
11 | D2O | natural abundance | 8.3 % | |
12 | potassium phosphate | natural abundance | 32 uM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 273 K, pH 6.0, Details Relaxation studies (selective 15N labeling)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | WALP19-P10 | [U-100% 15N] | 3.2 mM | |
14 | SDS | [U-100% 2H] | 400 mM | |
15 | TFE | [U-100% 2H] | 3.4 % | |
16 | H2O | natural abundance | 88.3 % | |
17 | D2O | natural abundance | 8.3 % | |
18 | potassium phosphate | natural abundance | 32 uM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 273 K, pH 6.0, Details Relaxation studies (selective 15N labeling)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | WALP19-P10 | [U-100% 15N] | 3.2 mM | |
14 | SDS | [U-100% 2H] | 400 mM | |
15 | TFE | [U-100% 2H] | 3.4 % | |
16 | H2O | natural abundance | 88.3 % | |
17 | D2O | natural abundance | 8.3 % | |
18 | potassium phosphate | natural abundance | 32 uM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 273 K, pH 6.0, Details Relaxation studies (selective 15N labeling)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | WALP19-P10 | [U-100% 15N] | 3.2 mM | |
14 | SDS | [U-100% 2H] | 400 mM | |
15 | TFE | [U-100% 2H] | 3.4 % | |
16 | H2O | natural abundance | 88.3 % | |
17 | D2O | natural abundance | 8.3 % | |
18 | potassium phosphate | natural abundance | 32 uM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 273 K, pH 6.0, Details Relaxation studies (selective 15N labeling)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | WALP19-P10 | [U-100% 15N] | 3.2 mM | |
8 | SDS | [U-100% 2H] | 400 mM | |
9 | TFE | [U-100% 2H] | 3.4 % | |
10 | H2O | natural abundance | 88.3 % | |
11 | D2O | natural abundance | 8.3 % | |
12 | potassium phosphate | natural abundance | 32 uM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 273 K, pH 6.0, Details Relaxation studies (selective 15N labeling)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | WALP19-P10 | [U-100% 15N] | 3.2 mM | |
8 | SDS | [U-100% 2H] | 400 mM | |
9 | TFE | [U-100% 2H] | 3.4 % | |
10 | H2O | natural abundance | 88.3 % | |
11 | D2O | natural abundance | 8.3 % | |
12 | potassium phosphate | natural abundance | 32 uM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 273 K, pH 6.0, Details Relaxation studies (selective 15N labeling)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | WALP19-P10 | [U-100% 15N] | 3.2 mM | |
8 | SDS | [U-100% 2H] | 400 mM | |
9 | TFE | [U-100% 2H] | 3.4 % | |
10 | H2O | natural abundance | 88.3 % | |
11 | D2O | natural abundance | 8.3 % | |
12 | potassium phosphate | natural abundance | 32 uM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 273 K, pH 6.0, Details Relaxation studies (selective 15N labeling)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | WALP19-P10 | [U-100% 15N] | 3.2 mM | |
14 | SDS | [U-100% 2H] | 400 mM | |
15 | TFE | [U-100% 2H] | 3.4 % | |
16 | H2O | natural abundance | 88.3 % | |
17 | D2O | natural abundance | 8.3 % | |
18 | potassium phosphate | natural abundance | 32 uM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 273 K, pH 6.0, Details Relaxation studies (selective 15N labeling)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | WALP19-P10 | [U-100% 15N] | 3.2 mM | |
14 | SDS | [U-100% 2H] | 400 mM | |
15 | TFE | [U-100% 2H] | 3.4 % | |
16 | H2O | natural abundance | 88.3 % | |
17 | D2O | natural abundance | 8.3 % | |
18 | potassium phosphate | natural abundance | 32 uM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 273 K, pH 6.0, Details Relaxation studies (selective 15N labeling)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | WALP19-P10 | [U-100% 15N] | 3.2 mM | |
14 | SDS | [U-100% 2H] | 400 mM | |
15 | TFE | [U-100% 2H] | 3.4 % | |
16 | H2O | natural abundance | 88.3 % | |
17 | D2O | natural abundance | 8.3 % | |
18 | potassium phosphate | natural abundance | 32 uM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17618_2lcn.nef |
Input source #2: Coordindates | 2lcn.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) |
---|---|---|---|---|
1:1:ACE:C | 1:2:GLY:N | unknown | unknown | n/a |
1:20:ALA:C | 1:21:ETA:N | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
A | 0 | ACE | ACETYL GROUP | Assigned chemical shifts, Distance restraints, Coordinates |
A | 20 | ETA | ETHANOLAMINE | Assigned chemical shifts, Distance restraints, Coordinates |
Sequence alignments
0--------10--------20 XGWWLALALAPALALALWWAX ||||||||||||||||||||| XGWWLALALAPALALALWWAX --------10--------20-
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 21 | 0 | 0 | 100.0 |
Content subtype: combined_17618_2lcn.nef
Assigned chemical shifts
Comp_index_ID | Comp_ID |
---|---|
20 | ETA |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 115 | 109 | 94.8 |
15N chemical shifts | 22 | 22 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 39 | 39 | 100.0 |
15N chemical shifts | 18 | 18 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 76 | 70 | 92.1 |
15N chemical shifts | 4 | 4 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 20 | 20 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 24 | 21 | 87.5 |
15N chemical shifts | 4 | 4 | 100.0 |
Covalent bonds
Distance restraints
0--------10--------20 XGWWLALALAPALALALWWAX ||||||||||||||||||| .GWWLALALAPALALALWWA 0--------10---------
Dihedral angle restraints
0--------10--------20 XGWWLALALAPALALALWWAX ||||||||||||||||||| .GWWLALALAPALALALWWA 0--------10---------