Pin1 WW domain phospho-mimic S16E
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 92.8 % (475 of 512) | 93.0 % (253 of 272) | 93.8 % (183 of 195) | 86.7 % (39 of 45) |
Backbone | 95.6 % (241 of 252) | 94.3 % (82 of 87) | 97.6 % (122 of 125) | 92.5 % (37 of 40) |
Sidechain | 91.3 % (273 of 299) | 92.4 % (171 of 185) | 91.7 % (100 of 109) | 40.0 % (2 of 5) |
Aromatic | 87.9 % (51 of 58) | 100.0 % (29 of 29) | 74.1 % (20 of 27) | 100.0 % (2 of 2) |
Methyl | 100.0 % (22 of 22) | 100.0 % (11 of 11) | 100.0 % (11 of 11) |
1. Pin1
GLEHMADEEK LPPGWEKRME RSSGRVYYFN HITNASQWER PSGSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 291 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Pin1 | natural abundance | 0.0 ~ 0.0 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 291 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Pin1 | natural abundance | 0.0 ~ 0.0 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 291 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Pin1 | natural abundance | 0.0 ~ 0.0 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 291 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Pin1 | natural abundance | 0.0 ~ 0.0 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 291 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Pin1 | natural abundance | 0.0 ~ 0.0 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 291 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Pin1 | natural abundance | 0.0 ~ 0.0 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 291 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Pin1 | natural abundance | 0.0 ~ 0.0 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 291 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Pin1 | natural abundance | 0.0 ~ 0.0 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 291 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Pin1 | natural abundance | 0.0 ~ 0.0 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 291 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Pin1 | natural abundance | 0.0 ~ 0.0 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 291 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Pin1 | natural abundance | 0.0 ~ 0.0 mM | |
2 | HEPES | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19259_2m8j.nef |
Input source #2: Coordindates | 2m8j.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--------40--- GLEHMADEEKLPPGWEKRMERSSGRVYYFNHITNASQWERPSG ||||||||||||||||||||||||||||||||||||||||||| GLEHMADEEKLPPGWEKRMERSSGRVYYFNHITNASQWERPSG
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 43 | 0 | 0 | 100.0 |
Content subtype: combined_19259_2m8j.nef
Assigned chemical shifts
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
4 | HIS | CG | 119.779 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 272 | 253 | 93.0 |
13C chemical shifts | 195 | 181 | 92.8 |
15N chemical shifts | 49 | 39 | 79.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 87 | 82 | 94.3 |
13C chemical shifts | 86 | 81 | 94.2 |
15N chemical shifts | 40 | 37 | 92.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 185 | 171 | 92.4 |
13C chemical shifts | 109 | 100 | 91.7 |
15N chemical shifts | 9 | 2 | 22.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 13 | 11 | 84.6 |
13C chemical shifts | 13 | 11 | 84.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 29 | 29 | 100.0 |
13C chemical shifts | 27 | 20 | 74.1 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
--------10--------20--------30--------40--- GLEHMADEEKLPPGWEKRMERSSGRVYYFNHITNASQWERPSG || ||||||||||||||||||||||||||||||||||||||| .LE.MADEEKLPPGWEKRMERSSGRVYYFNHITNASQWERPSG
Dihedral angle restraints
--------10--------20--------30--------40--- GLEHMADEEKLPPGWEKRMERSSGRVYYFNHITNASQWERPSG ||||||||||||||||||||||||||||||||||||||| ....MADEEKLPPGWEKRMERSSGRVYYFNHITNASQWERPSG