Solution NMR structure of Erythrobacter litoralis PhyR response regulator REC domain
GAMGSTNVLI IEDEPLISMQ LEDLVRSLGH DIAGTAATRT QAQEAVAKEK PGLVLADIQL ADGSSGIDAV EDILGQFDVP VIFITAYPER LLTGDRPEPT YLVTKPFQES TVRTTISQAL FFQNSPTAV
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 97.8 % (1404 of 1436) | 97.3 % (715 of 735) | 98.2 % (560 of 570) | 98.5 % (129 of 131) |
Backbone | 97.8 % (741 of 758) | 96.9 % (251 of 259) | 97.9 % (370 of 378) | 99.2 % (120 of 121) |
Sidechain | 98.1 % (783 of 798) | 97.5 % (464 of 476) | 99.4 % (310 of 312) | 90.0 % (9 of 10) |
Aromatic | 97.1 % (68 of 70) | 94.3 % (33 of 35) | 100.0 % (35 of 35) | |
Methyl | 100.0 % (182 of 182) | 100.0 % (91 of 91) | 100.0 % (91 of 91) |
1. entity
GAMGSTNVLI IEDEPLISMQ LEDLVRSLGH DIAGTAATRT QAQEAVAKEK PGLVLADIQL ADGSSGIDAV EDILGQFDVP VIFITAYPER LLTGDRPEPT YLVTKPFQES TVRTTISQAL FFQNSPTAVSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 0.5 ~ 1.0 mM | |
2 | TRIS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 mM | |
5 | D2O | natural abundance | 10 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 |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 0.5 ~ 1.0 mM | |
2 | TRIS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 mM | |
5 | D2O | natural abundance | 10 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 0.5 ~ 1.0 mM | |
2 | TRIS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 mM | |
5 | D2O | natural abundance | 10 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 0.5 ~ 1.0 mM | |
2 | TRIS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 mM | |
5 | D2O | natural abundance | 10 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 0.5 ~ 1.0 mM | |
2 | TRIS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 mM | |
5 | D2O | natural abundance | 10 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 0.5 ~ 1.0 mM | |
2 | TRIS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 mM | |
5 | D2O | natural abundance | 10 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 0.5 ~ 1.0 mM | |
2 | TRIS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 mM | |
5 | D2O | natural abundance | 10 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 0.5 ~ 1.0 mM | |
2 | TRIS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 mM | |
5 | D2O | natural abundance | 10 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 0.5 ~ 1.0 mM | |
2 | TRIS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 mM | |
5 | D2O | natural abundance | 10 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 0.5 ~ 1.0 mM | |
2 | TRIS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 mM | |
5 | D2O | natural abundance | 10 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 0.5 ~ 1.0 mM | |
2 | TRIS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 mM | |
5 | D2O | natural abundance | 10 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25918_2n9u.nef |
Input source #2: Coordindates | 2n9u.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
--140-----150-------160-------170-------180-------190-------200-------210-------220-------230------- GAMGSTNVLIIEDEPLISMQLEDLVRSLGHDIAGTAATRTQAQEAVAKEKPGLVLADIQLADGSSGIDAVEDILGQFDVPVIFITAYPERLLTGDRPEPT |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GAMGSTNVLIIEDEPLISMQLEDLVRSLGHDIAGTAATRTQAQEAVAKEKPGLVLADIQLADGSSGIDAVEDILGQFDVPVIFITAYPERLLTGDRPEPT --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 240-------250-------260------ YLVTKPFQESTVRTTISQALFFQNSPTAV ||||||||||||||||||||||||||||| YLVTKPFQESTVRTTISQALFFQNSPTAV -------110-------120---------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 129 | 0 | 0 | 100.0 |
Content subtype: combined_25918_2n9u.nef
Assigned chemical shifts
--140-----150-------160-------170-------180-------190-------200-------210-------220-------230------- GAMGSTNVLIIEDEPLISMQLEDLVRSLGHDIAGTAATRTQAQEAVAKEKPGLVLADIQLADGSSGIDAVEDILGQFDVPVIFITAYPERLLTGDRPEPT ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .AMGSTNVLIIEDEPLISMQLEDLVRSLGHDIAGTAATRTQAQEAVAKEKPGLVLADIQLADGSSGIDAVEDILGQFDVPVIFITAYPERLLTGDRPEPT 240-------250-------260------ YLVTKPFQESTVRTTISQALFFQNSPTAV ||||||||||||||||||||||||||||| YLVTKPFQESTVRTTISQALFFQNSPTAV
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
175 | THR | HG1 | 5.7523 |
201 | SER | HG | 8.2589 |
202 | SER | HG | 6.1778 |
222 | THR | HG1 | 9.013 |
252 | THR | HG1 | 5.1865 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 735 | 724 | 98.5 |
13C chemical shifts | 570 | 557 | 97.7 |
15N chemical shifts | 136 | 131 | 96.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 259 | 255 | 98.5 |
13C chemical shifts | 258 | 247 | 95.7 |
15N chemical shifts | 121 | 119 | 98.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 476 | 469 | 98.5 |
13C chemical shifts | 312 | 310 | 99.4 |
15N chemical shifts | 15 | 12 | 80.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 93 | 92 | 98.9 |
13C chemical shifts | 93 | 92 | 98.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 35 | 35 | 100.0 |
13C chemical shifts | 35 | 35 | 100.0 |
Distance restraints
--140-----150-------160-------170-------180-------190-------200-------210-------220-------230------- GAMGSTNVLIIEDEPLISMQLEDLVRSLGHDIAGTAATRTQAQEAVAKEKPGLVLADIQLADGSSGIDAVEDILGQFDVPVIFITAYPERLLTGDRPEPT ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .AMGSTNVLIIEDEPLISMQLEDLVRSLGHDIAGTAATRTQAQEAVAKEKPGLVLADIQLADGSSGIDAVEDILGQFDVPVIFITAYPERLLTGDRPEPT 240-------250-------260------ YLVTKPFQESTVRTTISQALFFQNSPTAV ||||||||||||||||||||||||||||| YLVTKPFQESTVRTTISQALFFQNSPTAV
--140-----150-------160-------170-------180-------190-------200-------210-------220-------230------- GAMGSTNVLIIEDEPLISMQLEDLVRSLGHDIAGTAATRTQAQEAVAKEKPGLVLADIQLADGSSGIDAVEDILGQFDVPVIFITAYPERLLTGDRPEPT ||||||| || ||||||||||| || | | ||||||||| |||| || | |||| ||| || | | || | | .....TNVLIIE.EP.ISMQLEDLVRS..HD.A..A.TRTQAQEAV.....GLVL.DI.L...SSGI.AVE.IL..F..P.IF....P..L......... --140-----150-------160-------170-------180-------190-------200-------210-------220-------230------- 240-------250-------260------ YLVTKPFQESTVRTTISQALFFQNSPTAV | | | ||| ||| || Y.V.....E.TVR.TIS.AL 240-------250-------
Dihedral angle restraints
--140-----150-------160-------170-------180-------190-------200-------210-------220-------230------- GAMGSTNVLIIEDEPLISMQLEDLVRSLGHDIAGTAATRTQAQEAVAKEKPGLVLADIQLADGSSGIDAVEDILGQFDVPVIFITAYPERLLTGDRPEPT ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||| ...GSTNVLIIEDEPLISMQLEDLVRSLGHDIAGTAATRTQAQEAVAKEKPGLVLADIQLADGSSGIDAVEDILGQFDVPVIFITAYPERLL...RPEPT --140-----150-------160-------170-------180-------190-------200-------210-------220-------230------- 240-------250-------260------ YLVTKPFQESTVRTTISQALFFQNSPTAV |||||||||||||||||||||| YLVTKPFQESTVRTTISQALFF 240-------250---------