Solution NMR Structure of Fumarate reductase flavoprotein subunit from Lactobacillus plantarum, Northeast Structural Genomics Consortium Target LpR145J
MVEPGVAKLT TYASKQATDM GAIYVNSKGD RIVNESNVYT TFRNAILKQA DKVAYLVMDE RTWKKVYDLL ILHDFTPEEI KSFFENKGKR PVFVKGSLES AAEQAGIVVD ELVQTVKNYQ GYVQDGHDHD FGRDPKYLHQ FEGETFYIIE QRLEHHHHHH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 90.4 % (1727 of 1911) | 91.2 % (903 of 990) | 90.4 % (678 of 750) | 85.4 % (146 of 171) |
Backbone | 88.7 % (844 of 952) | 89.0 % (290 of 326) | 89.6 % (421 of 470) | 85.3 % (133 of 156) |
Sidechain | 92.3 % (1024 of 1109) | 92.3 % (613 of 664) | 92.6 % (398 of 430) | 86.7 % (13 of 15) |
Aromatic | 85.3 % (174 of 204) | 86.3 % (88 of 102) | 84.2 % (85 of 101) | 100.0 % (1 of 1) |
Methyl | 95.9 % (163 of 170) | 95.3 % (81 of 85) | 96.5 % (82 of 85) |
1. LpR145J
MVEPGVAKLT TYASKQATDM GAIYVNSKGD RIVNESNVYT TFRNAILKQA DKVAYLVMDE RTWKKVYDLL ILHDFTPEEI KSFFENKGKR PVFVKGSLES AAEQAGIVVD ELVQTVKNYQ GYVQDGHDHD FGRDPKYLHQ FEGETFYIIE QRLEHHHHHHSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5, Details 1.41 mM [U-100% 13C; U-100% 15N]
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | LpR145J | [U-100% 13C; U-100% 15N] | 1.41 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5, Details 0.9 mM [U-5% 13C; U-100% 15N]
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | LpR145J | [U-100% 13C; U-100% 15N] | 0.90 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
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 - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5, Details 1.41 mM [U-100% 13C; U-100% 15N]
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | LpR145J | [U-100% 13C; U-100% 15N] | 1.41 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5, Details 1.41 mM [U-100% 13C; U-100% 15N]
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | LpR145J | [U-100% 13C; U-100% 15N] | 1.41 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5, Details 1.41 mM [U-100% 13C; U-100% 15N]
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | LpR145J | [U-100% 13C; U-100% 15N] | 1.41 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5, Details 1.41 mM [U-100% 13C; U-100% 15N]
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | LpR145J | [U-100% 13C; U-100% 15N] | 1.41 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5, Details 1.41 mM [U-100% 13C; U-100% 15N]
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | LpR145J | [U-100% 13C; U-100% 15N] | 1.41 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5, Details 1.41 mM [U-100% 13C; U-100% 15N]
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | LpR145J | [U-100% 13C; U-100% 15N] | 1.41 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5, Details 1.41 mM [U-100% 13C; U-100% 15N]
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | LpR145J | [U-100% 13C; U-100% 15N] | 1.41 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5, Details 1.41 mM [U-100% 13C; U-100% 15N]
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | LpR145J | [U-100% 13C; U-100% 15N] | 1.41 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5, Details 0.9 mM [U-5% 13C; U-100% 15N]
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | LpR145J | [U-100% 13C; U-100% 15N] | 0.90 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17747_2lfc.nef |
Input source #2: Coordindates | 2lfc.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--------90-------100 MVEPGVAKLTTYASKQATDMGAIYVNSKGDRIVNESNVYTTFRNAILKQADKVAYLVMDERTWKKVYDLLILHDFTPEEIKSFFENKGKRPVFVKGSLES |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MVEPGVAKLTTYASKQATDMGAIYVNSKGDRIVNESNVYTTFRNAILKQADKVAYLVMDERTWKKVYDLLILHDFTPEEIKSFFENKGKRPVFVKGSLES -------110-------120-------130-------140-------150-------160 AAEQAGIVVDELVQTVKNYQGYVQDGHDHDFGRDPKYLHQFEGETFYIIEQRLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| AAEQAGIVVDELVQTVKNYQGYVQDGHDHDFGRDPKYLHQFEGETFYIIEQRLEHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 160 | 0 | 0 | 100.0 |
Content subtype: combined_17747_2lfc.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MVEPGVAKLTTYASKQATDMGAIYVNSKGDRIVNESNVYTTFRNAILKQADKVAYLVMDERTWKKVYDLLILHDFTPEEIKSFFENKGKRPVFVKGSLES |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..EPGVAKLTTYASKQATDMGAIYVNSKGDRIVNESNVYTTFRNAILKQADKVAYLVMDERTWKKVYDLLILHDFTPEEIKSFFENKGKRPVFVKGSLES --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-------160 AAEQAGIVVDELVQTVKNYQGYVQDGHDHDFGRDPKYLHQFEGETFYIIEQRLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||| || AAEQAGIVVDELVQTVKNYQGYVQDGHDHDFGRDPKYLHQFEGETFYIIEQRLEH.HH -------110-------120-------130-------140-------150--------
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
62 | THR | HG1 | 5.724 |
76 | THR | HG1 | 5.749 |
115 | THR | HG1 | 6.277 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 990 | 907 | 91.6 |
13C chemical shifts | 750 | 676 | 90.1 |
15N chemical shifts | 177 | 143 | 80.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 326 | 292 | 89.6 |
13C chemical shifts | 320 | 278 | 86.9 |
15N chemical shifts | 156 | 130 | 83.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 664 | 615 | 92.6 |
13C chemical shifts | 430 | 398 | 92.6 |
15N chemical shifts | 21 | 13 | 61.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 88 | 85 | 96.6 |
13C chemical shifts | 88 | 84 | 95.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 102 | 88 | 86.3 |
13C chemical shifts | 101 | 85 | 84.2 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MVEPGVAKLTTYASKQATDMGAIYVNSKGDRIVNESNVYTTFRNAILKQADKVAYLVMDERTWKKVYDLLILHDFTPEEIKSFFENKGKRPVFVKGSLES |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..EPGVAKLTTYASKQATDMGAIYVNSKGDRIVNESNVYTTFRNAILKQADKVAYLVMDERTWKKVYDLLILHDFTPEEIKSFFENKGKRPVFVKGSLES --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-------160 AAEQAGIVVDELVQTVKNYQGYVQDGHDHDFGRDPKYLHQFEGETFYIIEQRLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||| AAEQAGIVVDELVQTVKNYQGYVQDGHDHDFGRDPKYLHQFEGETFYIIEQRLEH -------110-------120-------130-------140-------150-----
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MVEPGVAKLTTYASKQATDMGAIYVNSKGDRIVNESNVYTTFRNAILKQADKVAYLVMDERTWKKVYDLLILHDFTPEEIKSFFENKGKRPVFVKGSLES |||||||||||||||||| |||||||||||| ||||||||||||||||||||||| ||||||||| ||||||||| .........TTYASKQATDMGAIYVNS..........VYTTFRNAILKQ..KVAYLVMDERTWKKVYDLLILHD..PEEIKSFFE......VFVKGSLES --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-------160 AAEQAGIVVDELVQTVKNYQGYVQDGHDHDFGRDPKYLHQFEGETFYIIEQRLEHHHHHH |||||| ||||||||||||||||||| |||||||||||||||||| AAEQAG.VVDELVQTVKNYQGYVQDG..........YLHQFEGETFYIIEQRLE -------110-------120-------130-------140-------150----