Solution structure of the RRM domain of CYP33
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 88.8 % (840 of 946) | 89.5 % (433 of 484) | 87.0 % (328 of 377) | 92.9 % (79 of 85) |
Backbone | 95.1 % (470 of 494) | 95.3 % (162 of 170) | 94.2 % (229 of 243) | 97.5 % (79 of 81) |
Sidechain | 83.9 % (444 of 529) | 86.3 % (271 of 314) | 82.0 % (173 of 211) | 0.0 % (0 of 4) |
Aromatic | 59.5 % (50 of 84) | 83.3 % (35 of 42) | 35.7 % (15 of 42) | |
Methyl | 95.3 % (101 of 106) | 96.2 % (51 of 53) | 94.3 % (50 of 53) |
1. CYP33
GSTTKRVLYV GGLAEEVDDK VLHAAFIPFG DITDIQIPLD YETEKHRGFA FVEFELAEDA AAAIDNMNES ELFGRTIRVN LAKSolvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | DTT | natural abundance | 1 mM | |
4 | sodium azide | natural abundance | 1 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
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 |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | DTT | natural abundance | 1 mM | |
4 | sodium azide | natural abundance | 1 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | DTT | natural abundance | 1 mM | |
4 | sodium azide | natural abundance | 1 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | DTT | natural abundance | 1 mM | |
4 | sodium azide | natural abundance | 1 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | DTT | natural abundance | 1 mM | |
4 | sodium azide | natural abundance | 1 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | DTT | natural abundance | 1 mM | |
4 | sodium azide | natural abundance | 1 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | DTT | natural abundance | 1 mM | |
4 | sodium azide | natural abundance | 1 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | DTT | natural abundance | 1 mM | |
4 | sodium azide | natural abundance | 1 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | DTT | natural abundance | 1 mM | |
4 | sodium azide | natural abundance | 1 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | DTT | natural abundance | 1 mM | |
4 | sodium azide | natural abundance | 1 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | DTT | natural abundance | 1 mM | |
4 | sodium azide | natural abundance | 1 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | DTT | natural abundance | 1 mM | |
4 | sodium azide | natural abundance | 1 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State anisotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | DTT | natural abundance | 1 mM | |
4 | sodium azide | natural abundance | 1 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_16989_2kyx.nef |
Input source #2: Coordindates | 2kyx.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--------50--------60--------70--------80--- GSTTKRVLYVGGLAEEVDDKVLHAAFIPFGDITDIQIPLDYETEKHRGFAFVEFELAEDAAAAIDNMNESELFGRTIRVNLAK ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSTTKRVLYVGGLAEEVDDKVLHAAFIPFGDITDIQIPLDYETEKHRGFAFVEFELAEDAAAAIDNMNESELFGRTIRVNLAK
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 83 | 0 | 0 | 100.0 |
Content subtype: combined_16989_2kyx.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--- GSTTKRVLYVGGLAEEVDDKVLHAAFIPFGDITDIQIPLDYETEKHRGFAFVEFELAEDAAAAIDNMNESELFGRTIRVNLAK ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..TTKRVLYVGGLAEEVDDKVLHAAFIPFGDITDIQIPLDYETEKHRGFAFVEFELAEDAAAAIDNMNESELFGRTIRVNLAK
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 484 | 436 | 90.1 |
13C chemical shifts | 377 | 330 | 87.5 |
15N chemical shifts | 89 | 77 | 86.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 170 | 162 | 95.3 |
13C chemical shifts | 166 | 156 | 94.0 |
15N chemical shifts | 81 | 77 | 95.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 314 | 274 | 87.3 |
13C chemical shifts | 211 | 174 | 82.5 |
15N chemical shifts | 8 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 54 | 51 | 94.4 |
13C chemical shifts | 54 | 50 | 92.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 42 | 34 | 81.0 |
13C chemical shifts | 42 | 15 | 35.7 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--- GSTTKRVLYVGGLAEEVDDKVLHAAFIPFGDITDIQIPLDYETEKHRGFAFVEFELAEDAAAAIDNMNESELFGRTIRVNLAK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..TTKRVLYVGGLAEEVDDKVLHAAFIPFGDITDIQIPLDYETEKHRGFAFVEFELAEDAAAAIDNMNESELFGRTIRVNLA --------10--------20--------30--------40--------50--------60--------70--------80--
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--- GSTTKRVLYVGGLAEEVDDKVLHAAFIPFGDITDIQIPLDYETEKHRGFAFVEFELAEDAAAAIDNMNESELFGRTIRVNLAK |||||| ||||||||| |||||| ||||||| ||||||||||| |||||||||||| .....RVLYVG......DDKVLHAAF......TDIQIP.........GFAFVEF..AEDAAAAIDNM..SELFGRTIRVNL --------10--------20--------30--------40--------50--------60--------70--------80-
RDC restraints
--------10--------20--------30--------40--------50--------60--------70--------80--- GSTTKRVLYVGGLAEEVDDKVLHAAFIPFGDITDIQIPLDYETEKHRGFAFVEFELAEDAAAAIDNMNESELFGRTIRVNLAK ||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||| ....KRVLYVGGLAEEVDDKVLHAAFIPFGDITDIQIPLDYETEKHR.FAFVEFELAEDAAAAIDNMNESELFGRTIRVNL --------10--------20--------30--------40--------50--------60--------70--------80-