1H, 13C, and 15N Chemical Shift Assignments for AUX/IAA17
GGPEAAAFVK VSMDGAPYLR KIDLRMYKSY DELSNALSNM FSSFTMGKHG GEEGMIDFMN ERKLMDLVNS WDYVPSYENK DGNWMLVGDV PWPMFVDTCK RLRLMKGSDA IGL
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 83.0 % (1095 of 1320) | 79.4 % (546 of 688) | 85.0 % (438 of 515) | 94.9 % (111 of 117) |
Backbone | 94.9 % (634 of 668) | 93.1 % (216 of 232) | 96.3 % (316 of 328) | 94.4 % (102 of 108) |
Sidechain | 74.4 % (561 of 754) | 72.4 % (330 of 456) | 76.8 % (222 of 289) | 100.0 % (9 of 9) |
Aromatic | 39.2 % (51 of 130) | 44.6 % (29 of 65) | 30.6 % (19 of 62) | 100.0 % (3 of 3) |
Methyl | 86.5 % (83 of 96) | 85.4 % (41 of 48) | 87.5 % (42 of 48) |
1. Aux-IAA17
GGPEAAAFVK VSMDGAPYLR KIDLRMYKSY DELSNALSNM FSSFTMGKHG GEEGMIDFMN ERKLMDLVNS WDYVPSYENK DGNWMLVGDV PWPMFVDTCK RLRLMKGSDA IGLSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Aux-IAA17 | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | protons | 4.773 ppm | internal | direct | 1.0 |
13C | water | protons | 4.773 ppm | internal | indirect | 0.2514495 |
15N | water | protons | 4.773 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | protons | 4.773 ppm | internal | direct | 1.0 |
13C | water | protons | 4.773 ppm | internal | indirect | 0.2514495 |
15N | water | protons | 4.773 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | protons | 4.773 ppm | internal | direct | 1.0 |
13C | water | protons | 4.773 ppm | internal | indirect | 0.2514495 |
15N | water | protons | 4.773 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | protons | 4.773 ppm | internal | direct | 1.0 |
13C | water | protons | 4.773 ppm | internal | indirect | 0.2514495 |
15N | water | protons | 4.773 ppm | internal | indirect | 0.1013291 |
Bruker Avance - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Aux-IAA17 | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Aux-IAA17 | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Aux-IAA17 | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_25217_2muk.nef |
Input source #2: Coordindates | 2muk.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
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
X | X | 113 | 0 | 0 | 100.0 |
Content subtype: combined_25217_2muk.nef
Assigned chemical shifts
---110-------120-------130-------140-------150-------160-------170-------180-------190-------200---- GGPEAAAFVKVSMDGAPYLRKIDLRMYKSYDELSNALSNMFSSFTMGKHGGEEGMIDFMNERKLMDLVNSWDYVPSYENKDGNWMLVGDVPWPMFVDTCK ||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..PEAAAFVKVSMDGAPYLRKIDLRMYKSYDELSNALSNMF.SFTMGKHGGEEGMIDFMNERKLMDLVNSWDYVPSYENKDGNWMLVGDVPWPMFVDTCK ---210------- RLRLMKGSDAIGL ||||||||||||| RLRLMKGSDAIGL
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 688 | 520 | 75.6 |
13C chemical shifts | 515 | 428 | 83.1 |
15N chemical shifts | 122 | 108 | 88.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 232 | 211 | 90.9 |
13C chemical shifts | 226 | 216 | 95.6 |
15N chemical shifts | 108 | 99 | 91.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 456 | 309 | 67.8 |
13C chemical shifts | 289 | 212 | 73.4 |
15N chemical shifts | 14 | 9 | 64.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 58 | 41 | 70.7 |
13C chemical shifts | 58 | 41 | 70.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 65 | 26 | 40.0 |
13C chemical shifts | 62 | 16 | 25.8 |
15N chemical shifts | 3 | 3 | 100.0 |
Distance restraints
---110-------120-------130-------140-------150-------160-------170-------180-------190-------200---- GGPEAAAFVKVSMDGAPYLRKIDLRMYKSYDELSNALSNMFSSFTMGKHGGEEGMIDFMNERKLMDLVNSWDYVPSYENKDGNWMLVGDVPWPMFVDTCK ||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..PEAAAFVKVSMDGAPYLRKIDLRMYKSYDELSNALSNMF.SFTMGKHGGEEGMIDFMNERKLMDLVNSWDYVPSYENKDGNWMLVGDVPWPMFVDTCK ---210------- RLRLMKGSDAIGL ||||||||||||| RLRLMKGSDAIGL
Dihedral angle restraints
---110-------120-------130-------140-------150-------160-------170-------180-------190-------200---- GGPEAAAFVKVSMDGAPYLRKIDLRMYKSYDELSNALSNMFSSFTMGKHGGEEGMIDFMNERKLMDLVNSWDYVPSYENKDGNWMLVGDVPWPMFVDTCK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ....AAAFVKVSMDGAPYLRKIDLRMYKSYDELSNALSNMFSSFTMGKHGGEEGMIDFMNERKLMDLVNSWDYVPSYENKDGNWMLVGDVPWPMFVDTCK ---110-------120-------130-------140-------150-------160-------170-------180-------190-------200---- ---210------- RLRLMKGSDAIGL ||||||||||| RLRLMKGSDAI ---210-----
RDC restraints