NMR solution structure of the external DII domain of Rvb2 from Saccharomyces cerevisiae
GPHMETELIE GEVVEIQIDR SITGGHKQGK LTIKTTDMET IYELGNKMID GLTKEKVLAG DVISIDKASG KITKLGRSFA RSRDYDAMGA DTRFVQCPEG ELQKRKT
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 97.1 % (1188 of 1224) | 96.7 % (620 of 641) | 97.0 % (459 of 473) | 99.1 % (109 of 110) |
Backbone | 97.8 % (624 of 638) | 96.0 % (215 of 224) | 98.7 % (305 of 309) | 99.0 % (104 of 105) |
Sidechain | 96.8 % (659 of 681) | 97.1 % (405 of 417) | 96.1 % (249 of 259) | 100.0 % (5 of 5) |
Aromatic | 70.5 % (31 of 44) | 86.4 % (19 of 22) | 54.5 % (12 of 22) | |
Methyl | 100.0 % (118 of 118) | 100.0 % (59 of 59) | 100.0 % (59 of 59) |
1. entity 1
GPHMETELIE GEVVEIQIDR SITGGHKQGK LTIKTTDMET IYELGNKMID GLTKEKVLAG DVISIDKASG KITKLGRSFA RSRDYDAMGA DTRFVQCPEG ELQKRKTSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] Rvb2DII, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rvb2DII | [U-13C; U-15N] | 1 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] Rvb2DII, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rvb2DII | [U-13C; U-15N] | 1 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] Rvb2DII, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rvb2DII | [U-13C; U-15N] | 1 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] Rvb2DII, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rvb2DII | [U-13C; U-15N] | 1 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] Rvb2DII, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rvb2DII | [U-13C; U-15N] | 1 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] Rvb2DII, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rvb2DII | [U-13C; U-15N] | 1 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] Rvb2DII, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rvb2DII | [U-13C; U-15N] | 1 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] Rvb2DII, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rvb2DII | [U-13C; U-15N] | 1 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] Rvb2DII, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rvb2DII | [U-13C; U-15N] | 1 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] Rvb2DII, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rvb2DII | [U-13C; U-15N] | 1 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] Rvb2DII, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rvb2DII | [U-13C; U-15N] | 1 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] Rvb2DII, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rvb2DII | [U-13C; U-15N] | 1 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] Rvb2DII, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rvb2DII | [U-13C; U-15N] | 1 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] Rvb2DII, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rvb2DII | [U-13C; U-15N] | 1 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] Rvb2DII, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rvb2DII | [U-13C; U-15N] | 1 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] Rvb2DII, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rvb2DII | [U-13C; U-15N] | 1 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_34173_5oun.nef |
Input source #2: Coordindates | 5oun.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
--130-----140-------150-------160-------170-------180-------190-------200-------210-------220------- GPHMETELIEGEVVEIQIDRSITGGHKQGKLTIKTTDMETIYELGNKMIDGLTKEKVLAGDVISIDKASGKITKLGRSFARSRDYDAMGADTRFVQCPEG |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPHMETELIEGEVVEIQIDRSITGGHKQGKLTIKTTDMETIYELGNKMIDGLTKEKVLAGDVISIDKASGKITKLGRSFARSRDYDAMGADTRFVQCPEG --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 230---- ELQKRKT ||||||| ELQKRKT -------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 107 | 0 | 0 | 100.0 |
Content subtype: combined_34173_5oun.nef
Assigned chemical shifts
--130-----140-------150-------160-------170-------180-------190-------200-------210-------220------- GPHMETELIEGEVVEIQIDRSITGGHKQGKLTIKTTDMETIYELGNKMIDGLTKEKVLAGDVISIDKASGKITKLGRSFARSRDYDAMGADTRFVQCPEG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .PHMETELIEGEVVEIQIDRSITGGHKQGKLTIKTTDMETIYELGNKMIDGLTKEKVLAGDVISIDKASGKITKLGRSFARSRDYDAMGADTRFVQCPEG 230---- ELQKRKT ||||||| ELQKRKT
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 641 | 629 | 98.1 |
13C chemical shifts | 473 | 459 | 97.0 |
15N chemical shifts | 116 | 109 | 94.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 224 | 221 | 98.7 |
13C chemical shifts | 214 | 212 | 99.1 |
15N chemical shifts | 105 | 104 | 99.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 417 | 408 | 97.8 |
13C chemical shifts | 259 | 247 | 95.4 |
15N chemical shifts | 11 | 5 | 45.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 63 | 63 | 100.0 |
13C chemical shifts | 63 | 63 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 22 | 19 | 86.4 |
13C chemical shifts | 22 | 10 | 45.5 |
Distance restraints
--130-----140-------150-------160-------170-------180-------190-------200-------210-------220------- GPHMETELIEGEVVEIQIDRSITGGHKQGKLTIKTTDMETIYELGNKMIDGLTKEKVLAGDVISIDKASGKITKLGRSFARSRDYDAMGADTRFVQCPEG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .PHMETELIEGEVVEIQIDRSITGGHKQGKLTIKTTDMETIYELGNKMIDGLTKEKVLAGDVISIDKASGKITKLGRSFARSRDYDAMGADTRFVQCPEG 230---- ELQKRKT ||||||| ELQKRKT
Dihedral angle restraints
--130-----140-------150-------160-------170-------180-------190-------200-------210-------220------- GPHMETELIEGEVVEIQIDRSITGGHKQGKLTIKTTDMETIYELGNKMIDGLTKEKVLAGDVISIDKASGKITKLGRSFARSRDYDAMGADTRFVQCPEG ||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||| .....TELIEGEVVEIQIDR.....HKQGKLTIKTTDMETIYELGNKMIDGLTKEKVLAGDVISIDKASGKITKL --130-----140-------150-------160-------170-------180-------190-------200-- 230---- ELQKRKT
RDC restraints
--130-----140-------150-------160-------170-------180-------190-------200-------210-------220------- GPHMETELIEGEVVEIQIDRSITGGHKQGKLTIKTTDMETIYELGNKMIDGLTKEKVLAGDVISIDKASGKITKLGRSFARSRDYDAMGADTRFVQCPEG | ||||||||||||||||| ||| |||||| ||||| ||| ||||| ||||||||||||||||| || ......E.IEGEVVEIQIDRSITGG..QGK.TIKTTD.ETIYE.GNK...GLTKE.VLAGDVISIDKASGKIT.LG --130-----140-------150-------160-------170-------180-------190-------200--- 230---- ELQKRKT