Rhodospirillum rubrum reduced CooT solution structure
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 98.7 % (746 of 756) | 99.5 % (387 of 389) | 97.3 % (289 of 297) | 100.0 % (70 of 70) |
Backbone | 98.6 % (410 of 416) | 98.6 % (146 of 148) | 98.0 % (196 of 200) | 100.0 % (68 of 68) |
Sidechain | 99.0 % (396 of 400) | 100.0 % (241 of 241) | 97.5 % (153 of 157) | 100.0 % (2 of 2) |
Aromatic | 83.3 % (20 of 24) | 100.0 % (12 of 12) | 66.7 % (8 of 12) | |
Methyl | 100.0 % (94 of 94) | 100.0 % (47 of 47) | 100.0 % (47 of 47) |
1. entity 1
GPGSMCMAKV VLTKADGGRV EIGDVLEVRA EGGAVRVTTL FDEEHAFPGL AIGRVDLRSG VISLIEEQNRSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1 mM [U-13C; U-15N] CooT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CooT | [U-13C; U-15N] | 1 (±0.1) mM | |
2 | NaP buffer | natural abundance | 100 mM |
Bruker AVANCE III - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1 mM [U-13C; U-15N] CooT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CooT | [U-13C; U-15N] | 1 (±0.1) mM | |
2 | NaP buffer | natural abundance | 100 mM |
Bruker AVANCE III - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1 mM [U-13C; U-15N] CooT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CooT | [U-13C; U-15N] | 1 (±0.1) mM | |
2 | NaP buffer | natural abundance | 100 mM |
Bruker AVANCE III - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1 mM [U-13C; U-15N] CooT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CooT | [U-13C; U-15N] | 1 (±0.1) mM | |
2 | NaP buffer | natural abundance | 100 mM |
Bruker AVANCE III - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1 mM [U-13C; U-15N] CooT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CooT | [U-13C; U-15N] | 1 (±0.1) mM | |
2 | NaP buffer | natural abundance | 100 mM |
Bruker AVANCE III - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1 mM [U-13C; U-15N] CooT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CooT | [U-13C; U-15N] | 1 (±0.1) mM | |
2 | NaP buffer | natural abundance | 100 mM |
Bruker AVANCE III - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1 mM [U-13C; U-15N] CooT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CooT | [U-13C; U-15N] | 1 (±0.1) mM | |
2 | NaP buffer | natural abundance | 100 mM |
Bruker AVANCE III - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1 mM [U-13C; U-15N] CooT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CooT | [U-13C; U-15N] | 1 (±0.1) mM | |
2 | NaP buffer | natural abundance | 100 mM |
Bruker AVANCE III - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1 mM [U-13C; U-15N] CooT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CooT | [U-13C; U-15N] | 1 (±0.1) mM | |
2 | NaP buffer | natural abundance | 100 mM |
Bruker AVANCE III - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1 mM [U-13C; U-15N] CooT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CooT | [U-13C; U-15N] | 1 (±0.1) mM | |
2 | NaP buffer | natural abundance | 100 mM |
Bruker AVANCE III - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1 mM [U-13C; U-15N] CooT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CooT | [U-13C; U-15N] | 1 (±0.1) mM | |
2 | NaP buffer | natural abundance | 100 mM |
Properties
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneContent subtype: bmr34495_3.str
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70 GPGSMCMAKVVLTKADGGRVEIGDVLEVRAEGGAVRVTTLFDEEHAFPGLAIGRVDLRSGVISLIEEQNR |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPGSMCMAKVVLTKADGGRVEIGDVLEVRAEGGAVRVTTLFDEEHAFPGLAIGRVDLRSGVISLIEEQNR
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
45 | HIS | ND1 | 205.12 |
45 | HIS | NE2 | 174.696 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 389 | 389 | 100.0 |
13C chemical shifts | 297 | 289 | 97.3 |
15N chemical shifts | 76 | 76 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 148 | 148 | 100.0 |
13C chemical shifts | 140 | 136 | 97.1 |
15N chemical shifts | 68 | 68 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 241 | 241 | 100.0 |
13C chemical shifts | 157 | 153 | 97.5 |
15N chemical shifts | 8 | 8 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 49 | 49 | 100.0 |
13C chemical shifts | 49 | 49 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 12 | 12 | 100.0 |
13C chemical shifts | 12 | 8 | 66.7 |