Solution Structure of C-terminal RAGE (ctRAGE)
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 74.2 % (363 of 489) | 79.9 % (214 of 268) | 62.6 % (109 of 174) | 85.1 % (40 of 47) |
Backbone | 79.8 % (201 of 252) | 96.6 % (84 of 87) | 61.6 % (77 of 125) | 100.0 % (40 of 40) |
Sidechain | 71.7 % (198 of 276) | 71.8 % (130 of 181) | 77.3 % (68 of 88) | 0.0 % (0 of 7) |
Aromatic | 0.0 % (0 of 12) | 0.0 % (0 of 6) | 0.0 % (0 of 5) | 0.0 % (0 of 1) |
Methyl | 91.7 % (11 of 12) | 100.0 % (6 of 6) | 83.3 % (5 of 6) |
1. ctRAGE
MWQRRQRRGE ERKAPENQEE EEERAELNQS EEPEAGESST GGPSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 10 mM potassium phosphate [pH 6.5], 100 mM NaCl, 0.02% (w/v) NaN3, in 90%H2O/10%D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ctRAGE | [U-99% 13C; U-99% 15N] | 300 uM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 100 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % |
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 |
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 |
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 |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 10 mM potassium phosphate [pH 6.5], 100 mM NaCl, 0.02% (w/v) NaN3, in 90%H2O/10%D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ctRAGE | [U-99% 13C; U-99% 15N] | 300 uM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 100 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 10 mM potassium phosphate [pH 6.5], 100 mM NaCl, 0.02% (w/v) NaN3, in 90%H2O/10%D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ctRAGE | [U-99% 13C; U-99% 15N] | 300 uM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 100 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 10 mM potassium phosphate [pH 6.5], 100 mM NaCl, 0.02% (w/v) NaN3, in 90%H2O/10%D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ctRAGE | [U-99% 13C; U-99% 15N] | 300 uM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 100 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 10 mM potassium phosphate [pH 6.5], 100 mM NaCl, 0.02% (w/v) NaN3, in 90%H2O/10%D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ctRAGE | [U-99% 13C; U-99% 15N] | 300 uM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 100 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 10 mM potassium phosphate [pH 6.5], 100 mM NaCl, 0.02% (w/v) NaN3, in 90%H2O/10%D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ctRAGE | [U-99% 13C; U-99% 15N] | 300 uM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 100 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 10 mM potassium phosphate [pH 6.5], 100 mM NaCl, 0.02% (w/v) NaN3, in 90%H2O/10%D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ctRAGE | [U-99% 13C; U-99% 15N] | 300 uM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 100 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 10 mM potassium phosphate [pH 6.5], 100 mM NaCl, 0.02% (w/v) NaN3, in 90%H2O/10%D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ctRAGE | [U-99% 13C; U-99% 15N] | 300 uM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 100 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 10 mM potassium phosphate [pH 6.5], 100 mM NaCl, 0.02% (w/v) NaN3, in 90%H2O/10%D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ctRAGE | [U-99% 13C; U-99% 15N] | 300 uM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 100 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 10 mM potassium phosphate [pH 6.5], 100 mM NaCl, 0.02% (w/v) NaN3, in 90%H2O/10%D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ctRAGE | [U-99% 13C; U-99% 15N] | 300 uM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 100 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 10 mM potassium phosphate [pH 6.5], 100 mM NaCl, 0.02% (w/v) NaN3, in 90%H2O/10%D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ctRAGE | [U-99% 13C; U-99% 15N] | 300 uM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 100 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18110_2lmb.nef |
Input source #2: Coordindates | 2lmb.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--- MWQRRQRRGEERKAPENQEEEEERAELNQSEEPEAGESSTGGP ||||||||||||||||||||||||||||||||||||||||||| MWQRRQRRGEERKAPENQEEEEERAELNQSEEPEAGESSTGGP
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_18110_2lmb.nef
Assigned chemical shifts
--------10--------20--------30--------40--- MWQRRQRRGEERKAPENQEEEEERAELNQSEEPEAGESSTGGP |||||||||||||| ||||||||||||||||| ||||||||| MWQRRQRRGEERKA.ENQEEEEERAELNQSEE.EAGESSTGG --------10--------20--------30--------40--
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 268 | 213 | 79.5 |
13C chemical shifts | 174 | 107 | 61.5 |
15N chemical shifts | 53 | 40 | 75.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 87 | 83 | 95.4 |
13C chemical shifts | 86 | 40 | 46.5 |
15N chemical shifts | 40 | 40 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 181 | 130 | 71.8 |
13C chemical shifts | 88 | 67 | 76.1 |
15N chemical shifts | 13 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 7 | 6 | 85.7 |
13C chemical shifts | 7 | 5 | 71.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 6 | 0 | 0.0 |
13C chemical shifts | 5 | 0 | 0.0 |
15N chemical shifts | 1 | 0 | 0.0 |
Distance restraints
Dihedral angle restraints