NMR resonance assignments of CadC 1-159 from E.coli
GAMAQQPVVR VGEWLVTPSI NQISRNGRQL TLEPRLIDLL VFFAQHSGEV LSRDELIDNV WKRSIVTNHV VTQSISELRK SLKDNDEDSP VYIATVPKRG YKLMVPVIWY SEEEGEEIML SSPPPIPEAV PATDSPSHSL NIQNTATPPE QSPVKSKRFT TF
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 68.5 % (1301 of 1900) | 64.4 % (639 of 992) | 68.4 % (508 of 743) | 93.3 % (154 of 165) |
Backbone | 84.0 % (791 of 942) | 80.6 % (254 of 315) | 82.7 % (397 of 480) | 95.2 % (140 of 147) |
Sidechain | 58.6 % (653 of 1114) | 56.9 % (385 of 677) | 60.6 % (254 of 419) | 77.8 % (14 of 18) |
Aromatic | 64.3 % (72 of 112) | 76.8 % (43 of 56) | 49.1 % (26 of 53) | 100.0 % (3 of 3) |
Methyl | 69.6 % (135 of 194) | 76.3 % (74 of 97) | 62.9 % (61 of 97) |
1. CadC
GAMAQQPVVR VGEWLVTPSI NQISRNGRQL TLEPRLIDLL VFFAQHSGEV LSRDELIDNV WKRSIVTNHV VTQSISELRK SLKDNDEDSP VYIATVPKRG YKLMVPVIWY SEEEGEEIML SSPPPIPEAV PATDSPSHSL NIQNTATPPE QSPVKSKRFT TFSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CadC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | BisTrisnatural | abundance" | 20 mM | |
5 | NaCl | natural abundance | 150 mM |
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 |
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 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CadC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | BisTrisnatural | abundance" | 20 mM | |
5 | NaCl | natural abundance | 150 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CadC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | BisTrisnatural | abundance" | 20 mM | |
5 | NaCl | natural abundance | 150 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CadC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | BisTrisnatural | abundance" | 20 mM | |
5 | NaCl | natural abundance | 150 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CadC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | BisTrisnatural | abundance" | 20 mM | |
5 | NaCl | natural abundance | 150 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CadC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | BisTrisnatural | abundance" | 20 mM | |
5 | NaCl | natural abundance | 150 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CadC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | BisTrisnatural | abundance" | 20 mM | |
5 | NaCl | natural abundance | 150 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CadC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | BisTrisnatural | abundance" | 20 mM | |
5 | NaCl | natural abundance | 150 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CadC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | BisTrisnatural | abundance" | 20 mM | |
5 | NaCl | natural abundance | 150 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CadC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | BisTrisnatural | abundance" | 20 mM | |
5 | NaCl | natural abundance | 150 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CadC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | BisTrisnatural | abundance" | 20 mM | |
5 | NaCl | natural abundance | 150 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CadC | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | BisTrisnatural | abundance" | 20 mM | |
5 | NaCl | natural abundance | 150 mM |
Properties
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneContent subtype: bmr25417_3.str
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GAMAQQPVVRVGEWLVTPSINQISRNGRQLTLEPRLIDLLVFFAQHSGEVLSRDELIDNVWKRSIVTNHVVTQSISELRKSLKDNDEDSPVYIATVPKRG |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..MAQQPVVRVGEWLVTPSINQISRNGRQLTLEPRLIDLLVFFAQHSGEVLSRDELIDNVWKRSIVTNHVVTQSISELRKSLKDNDEDSPVYIATVPKRG -------110-------120-------130-------140-------150-------160-- YKLMVPVIWYSEEEGEEIMLSSPPPIPEAVPATDSPSHSLNIQNTATPPEQSPVKSKRFTTF |||||||||||||||||||||| ||||||||||| |||||||||| |||||||||||||| YKLMVPVIWYSEEEGEEIMLSS..PIPEAVPATDS..HSLNIQNTAT.PEQSPVKSKRFTTF
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
31 | THR | HG1 | 5.481 |
67 | THR | HG1 | 0.347 |
92 | TYR | HH | 8.661 |
110 | TYR | HH | 6.916 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 992 | 613 | 61.8 |
13C chemical shifts | 743 | 482 | 64.9 |
15N chemical shifts | 174 | 156 | 89.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 315 | 249 | 79.0 |
13C chemical shifts | 324 | 242 | 74.7 |
15N chemical shifts | 147 | 138 | 93.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 677 | 364 | 53.8 |
13C chemical shifts | 419 | 240 | 57.3 |
15N chemical shifts | 27 | 18 | 66.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 100 | 69 | 69.0 |
13C chemical shifts | 100 | 57 | 57.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 56 | 41 | 73.2 |
13C chemical shifts | 53 | 26 | 49.1 |
15N chemical shifts | 3 | 3 | 100.0 |