Solution NMR structure of the PCP_red domain of light-independent protochlorophyllide reductase subunit B from Chlorobium tepidum. Northeast Structural Genomics Consortium Target CtR69A
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 83.7 % (631 of 754) | 83.8 % (330 of 394) | 83.1 % (246 of 296) | 85.9 % (55 of 64) |
Backbone | 83.7 % (313 of 374) | 82.9 % (107 of 129) | 83.7 % (154 of 184) | 85.2 % (52 of 61) |
Sidechain | 84.0 % (368 of 438) | 84.2 % (223 of 265) | 83.5 % (142 of 170) | 100.0 % (3 of 3) |
Aromatic | 53.8 % (42 of 78) | 53.8 % (21 of 39) | 52.6 % (20 of 38) | 100.0 % (1 of 1) |
Methyl | 100.0 % (60 of 60) | 100.0 % (30 of 30) | 100.0 % (30 of 30) |
1. CtR69A
MGELSWTAEA EKMLGKVPFF VRKKVRKNTD NYAREIGEPV VTADVFRKAK EHLGGLEHHH HHHSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.080 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | NaN3 | natural abundance | 0.02 % |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | entity | [U-5% 13C; U-100% 15N] | 0.986 mM | |
7 | MES | natural abundance | 20 mM | |
8 | sodium chloride | natural abundance | 100 mM | |
9 | calcium chloride | natural abundance | 5 mM | |
10 | NaN3 | natural abundance | 0.02 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.080 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | NaN3 | natural abundance | 0.02 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.080 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | NaN3 | natural abundance | 0.02 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | entity | [U-5% 13C; U-100% 15N] | 0.986 mM | |
7 | MES | natural abundance | 20 mM | |
8 | sodium chloride | natural abundance | 100 mM | |
9 | calcium chloride | natural abundance | 5 mM | |
10 | NaN3 | natural abundance | 0.02 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.080 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | NaN3 | natural abundance | 0.02 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.080 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | NaN3 | natural abundance | 0.02 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.080 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | NaN3 | natural abundance | 0.02 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.080 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | NaN3 | natural abundance | 0.02 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.080 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | NaN3 | natural abundance | 0.02 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.080 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | NaN3 | natural abundance | 0.02 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.080 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | NaN3 | natural abundance | 0.02 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.080 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | NaN3 | natural abundance | 0.02 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.080 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | NaN3 | natural abundance | 0.02 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.080 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | NaN3 | natural abundance | 0.02 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_16649_2kru.nef |
Input source #2: Coordindates | 2kru.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--- MGELSWTAEAEKMLGKVPFFVRKKVRKNTDNYAREIGEPVVTADVFRKAKEHLGGLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MGELSWTAEAEKMLGKVPFFVRKKVRKNTDNYAREIGEPVVTADVFRKAKEHLGGLEHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 63 | 0 | 0 | 100.0 |
Content subtype: combined_16649_2kru.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--- MGELSWTAEAEKMLGKVPFFVRKKVRKNTDNYAREIGEPVVTADVFRKAKEHLGGLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..ELSWTAEAEKMLGKVPFFVRKKVRKNTDNYAREIGEPVVTADVFRKAKEHLGGLE --------10--------20--------30--------40--------50-------
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
7 | THR | HG1 | 5.43 |
26 | ARG | HH11 | 6.666 |
26 | ARG | HH12 | 6.666 |
26 | ARG | HH21 | 6.184 |
26 | ARG | HH22 | 6.184 |
26 | ARG | NH1 | 71.269 |
26 | ARG | NH2 | 71.217 |
29 | THR | HG1 | 4.808 |
42 | THR | HG1 | 6.056 |
52 | HIS | ND1 | 200.878 |
52 | HIS | NE2 | 178.265 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 394 | 345 | 87.6 |
13C chemical shifts | 296 | 255 | 86.1 |
15N chemical shifts | 68 | 59 | 86.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 129 | 111 | 86.0 |
13C chemical shifts | 126 | 108 | 85.7 |
15N chemical shifts | 61 | 52 | 85.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 265 | 234 | 88.3 |
13C chemical shifts | 170 | 147 | 86.5 |
15N chemical shifts | 7 | 7 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 32 | 31 | 96.9 |
13C chemical shifts | 32 | 31 | 96.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 39 | 25 | 64.1 |
13C chemical shifts | 38 | 24 | 63.2 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--- MGELSWTAEAEKMLGKVPFFVRKKVRKNTDNYAREIGEPVVTADVFRKAKEHLGGLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..ELSWTAEAEKMLGKVPFFVRKKVRKNTDNYAREIGEPVVTADVFRKAKEHLGGLE --------10--------20--------30--------40--------50-------
--------10--------20--------30--------40--------50--------60--- MGELSWTAEAEKMLGKVPFFVRKKVRKNTDNYAREIGEPVVTADVFRKAKEHLGGLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..ELSWTAEAEKMLGKVPFFVRKKVRKNTDNYAREIGEPVVTADVFRKAKEHLGGLE --------10--------20--------30--------40--------50-------
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--- MGELSWTAEAEKMLGKVPFFVRKKVRKNTDNYAREIGEPVVTADVFRKAKEHLGGLEHHHHHH |||||||||||| ||||||||||||||||| |||||||||||| ....SWTAEAEKMLGK....VRKKVRKNTDNYAREIG....TADVFRKAKEHL --------10--------20--------30--------40--------50---
--------10--------20--------30--------40--------50--------60--- MGELSWTAEAEKMLGKVPFFVRKKVRKNTDNYAREIGEPVVTADVFRKAKEHLGGLEHHHHHH |||||||||||| ||||||||||||||||| |||||||||||| ....SWTAEAEKMLGK....VRKKVRKNTDNYAREIG....TADVFRKAKEHL --------10--------20--------30--------40--------50---