Solution structure of human ubiquitin conjugating enzyme Rad6b
MSTPARRRLM RDFKRLQEDP PVGVSGAPSE NNIMQWNAVI FGPEGTPFED GTFKLVIEFS EEYPNKPPTV RFLSKMFHPN VYADGSICLD ILQNRWSPTY DVSSILTSIQ SLLDEPNPNS PANSQAAQLY QENKREYEKR VSAIVEQSWN DS
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 87.9 % (1580 of 1797) | 89.9 % (850 of 945) | 84.7 % (586 of 692) | 90.0 % (144 of 160) |
Backbone | 95.0 % (840 of 884) | 95.9 % (284 of 296) | 94.0 % (423 of 450) | 96.4 % (133 of 138) |
Sidechain | 82.6 % (875 of 1059) | 86.3 % (560 of 649) | 78.4 % (304 of 388) | 50.0 % (11 of 22) |
Aromatic | 41.3 % (62 of 150) | 69.3 % (52 of 75) | 9.7 % (7 of 72) | 100.0 % (3 of 3) |
Methyl | 99.3 % (135 of 136) | 100.0 % (68 of 68) | 98.5 % (67 of 68) |
1. UBIQUITIN-CONJUGATING ENZYME E2 B
MSTPARRRLM RDFKRLQEDP PVGVSGAPSE NNIMQWNAVI FGPEGTPFED GTFKLVIEFS EEYPNKPPTV RFLSKMFHPN VYADGSICLD ILQNRWSPTY DVSSILTSIQ SLLDEPNPNS PANSQAAQLY QENKREYEKR VSAIVEQSWN DSSolvent system 50mM KH2PO4/K2HPO4 (pH 8.0), 300 mM NaCl, 1 mM DTT, 95%/5% H2O/D2O, Pressure 1.000 atm, Temperature 310.000 K, pH 8.000, Details 1 mM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | UBIQUITIN-CONJUGATING ENZYME E2 B | 1 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl proton | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl proton | 0.0 ppm | internal | indirect | 1.0 |
15N | DSS | methyl proton | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl proton | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl proton | 0.0 ppm | internal | indirect | 1.0 |
15N | DSS | methyl proton | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl proton | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl proton | 0.0 ppm | internal | indirect | 1.0 |
15N | DSS | methyl proton | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl proton | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl proton | 0.0 ppm | internal | indirect | 1.0 |
15N | DSS | methyl proton | 0.0 ppm | internal | indirect | 0.1013291 |
Bruker Avance - 750 MHz
State isotropic, Solvent system 50mM KH2PO4/K2HPO4 (pH 8.0), 300 mM NaCl, 1 mM DTT, 95%/5% H2O/D2O, Pressure 1.000 atm, Temperature 310.000 K, pH 8.000, Details 1 mM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | UBIQUITIN-CONJUGATING ENZYME E2 B | 1 mM |
Bruker Avance - 750 MHz
State isotropic, Solvent system 50mM KH2PO4/K2HPO4 (pH 8.0), 300 mM NaCl, 1 mM DTT, 95%/5% H2O/D2O, Pressure 1.000 atm, Temperature 310.000 K, pH 8.000, Details 1 mM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | UBIQUITIN-CONJUGATING ENZYME E2 B | 1 mM |
Bruker Avance - 750 MHz
State isotropic, Solvent system 50mM KH2PO4/K2HPO4 (pH 8.0), 300 mM NaCl, 1 mM DTT, 95%/5% H2O/D2O, Pressure 1.000 atm, Temperature 310.000 K, pH 8.000, Details 1 mM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | UBIQUITIN-CONJUGATING ENZYME E2 B | 1 mM |
Bruker Avance - 750 MHz
State isotropic, Solvent system 50mM KH2PO4/K2HPO4 (pH 8.0), 300 mM NaCl, 1 mM DTT, 95%/5% H2O/D2O, Pressure 1.000 atm, Temperature 310.000 K, pH 8.000, Details 1 mM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | UBIQUITIN-CONJUGATING ENZYME E2 B | 1 mM |
Bruker Avance - 750 MHz
State isotropic, Solvent system 50mM KH2PO4/K2HPO4 (pH 8.0), 300 mM NaCl, 1 mM DTT, 95%/5% H2O/D2O, Pressure 1.000 atm, Temperature 310.000 K, pH 8.000, Details 1 mM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | UBIQUITIN-CONJUGATING ENZYME E2 B | 1 mM |
Bruker Avance - 750 MHz
State isotropic, Solvent system 50mM KH2PO4/K2HPO4 (pH 8.0), 300 mM NaCl, 1 mM DTT, 95%/5% H2O/D2O, Pressure 1.000 atm, Temperature 310.000 K, pH 8.000, Details 1 mM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | UBIQUITIN-CONJUGATING ENZYME E2 B | 1 mM |
Bruker Avance - 750 MHz
State isotropic, Solvent system 50mM KH2PO4/K2HPO4 (pH 8.0), 300 mM NaCl, 1 mM DTT, 95%/5% H2O/D2O, Pressure 1.000 atm, Temperature 310.000 K, pH 8.000, Details 1 mM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | UBIQUITIN-CONJUGATING ENZYME E2 B | 1 mM |
Bruker Avance - 750 MHz
State isotropic, Solvent system 50mM KH2PO4/K2HPO4 (pH 8.0), 300 mM NaCl, 1 mM DTT, 95%/5% H2O/D2O, Pressure 1.000 atm, Temperature 310.000 K, pH 8.000, Details 1 mM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | UBIQUITIN-CONJUGATING ENZYME E2 B | 1 mM |
Bruker Avance - 750 MHz
State isotropic, Solvent system 50mM KH2PO4/K2HPO4 (pH 8.0), 300 mM NaCl, 1 mM DTT, 95%/5% H2O/D2O, Pressure 1.000 atm, Temperature 310.000 K, pH 8.000, Details 1 mM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | UBIQUITIN-CONJUGATING ENZYME E2 B | 1 mM |
Bruker Avance - 750 MHz
State isotropic, Solvent system 50mM KH2PO4/K2HPO4 (pH 8.0), 300 mM NaCl, 1 mM DTT, 95%/5% H2O/D2O, Pressure 1.000 atm, Temperature 310.000 K, pH 8.000, Details 1 mM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | UBIQUITIN-CONJUGATING ENZYME E2 B | 1 mM |
Bruker Avance - 750 MHz
State isotropic, Solvent system 50mM KH2PO4/K2HPO4 (pH 8.0), 300 mM NaCl, 1 mM DTT, 95%/5% H2O/D2O, Pressure 1.000 atm, Temperature 310.000 K, pH 8.000, Details 1 mM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | UBIQUITIN-CONJUGATING ENZYME E2 B | 1 mM |
Bruker Avance - 750 MHz
State isotropic, Solvent system 50mM KH2PO4/K2HPO4 (pH 8.0), 300 mM NaCl, 1 mM DTT, 95%/5% H2O/D2O, Pressure 1.000 atm, Temperature 310.000 K, pH 8.000, Details 1 mM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | UBIQUITIN-CONJUGATING ENZYME E2 B | 1 mM |
Bruker Avance - 750 MHz
State isotropic, Solvent system 50mM KH2PO4/K2HPO4 (pH 8.0), 300 mM NaCl, 1 mM DTT, 95%/5% H2O/D2O, Pressure 1.000 atm, Temperature 310.000 K, pH 8.000, Details 1 mM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | UBIQUITIN-CONJUGATING ENZYME E2 B | 1 mM |
Bruker Avance - 750 MHz
State isotropic, Solvent system 50mM KH2PO4/K2HPO4 (pH 8.0), 300 mM NaCl, 1 mM DTT, 95%/5% H2O/D2O, Pressure 1.000 atm, Temperature 310.000 K, pH 8.000, Details 1 mM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | UBIQUITIN-CONJUGATING ENZYME E2 B | 1 mM |
Bruker Avance - 750 MHz
State isotropic, Solvent system 50mM KH2PO4/K2HPO4 (pH 8.0), 300 mM NaCl, 1 mM DTT, 95%/5% H2O/D2O, Pressure 1.000 atm, Temperature 310.000 K, pH 8.000, Details 1 mM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | UBIQUITIN-CONJUGATING ENZYME E2 B | 1 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17443_2y4w.nef |
Input source #2: Coordindates | 2y4w.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 MSTPARRRLMRDFKRLQEDPPVGVSGAPSENNIMQWNAVIFGPEGTPFEDGTFKLVIEFSEEYPNKPPTVRFLSKMFHPNVYADGSICLDILQNRWSPTY |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MSTPARRRLMRDFKRLQEDPPVGVSGAPSENNIMQWNAVIFGPEGTPFEDGTFKLVIEFSEEYPNKPPTVRFLSKMFHPNVYADGSICLDILQNRWSPTY -------110-------120-------130-------140-------150-- DVSSILTSIQSLLDEPNPNSPANSQAAQLYQENKREYEKRVSAIVEQSWNDS |||||||||||||||||||||||||||||||||||||||||||||||||||| DVSSILTSIQSLLDEPNPNSPANSQAAQLYQENKREYEKRVSAIVEQSWNDS
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 152 | 0 | 0 | 100.0 |
Content subtype: combined_17443_2y4w.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MSTPARRRLMRDFKRLQEDPPVGVSGAPSENNIMQWNAVIFGPEGTPFEDGTFKLVIEFSEEYPNKPPTVRFLSKMFHPNVYADGSICLDILQNRWSPTY |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MSTPARRRLMRDFKRLQEDPPVGVSGAPSENNIMQWNAVIFGPEGTPFEDGTFKLVIEFSEEYPNKPPTVRFLSKMFHPNVYADGSICLDILQNRWSPTY --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-- DVSSILTSIQSLLDEPNPNSPANSQAAQLYQENKREYEKRVSAIVEQSWNDS ||||||||||||||||||||||||||||||||||||||||||||||||||| DVSSILTSIQSLLDEPNPNSPANSQAAQLYQENKREYEKRVSAIVEQSWND -------110-------120-------130-------140-------150-
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 945 | 834 | 88.3 |
13C chemical shifts | 692 | 581 | 84.0 |
15N chemical shifts | 169 | 140 | 82.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 296 | 280 | 94.6 |
13C chemical shifts | 304 | 280 | 92.1 |
15N chemical shifts | 138 | 130 | 94.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 649 | 554 | 85.4 |
13C chemical shifts | 388 | 301 | 77.6 |
15N chemical shifts | 31 | 10 | 32.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 72 | 68 | 94.4 |
13C chemical shifts | 72 | 67 | 93.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 75 | 50 | 66.7 |
13C chemical shifts | 72 | 4 | 5.6 |
15N chemical shifts | 3 | 3 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MSTPARRRLMRDFKRLQEDPPVGVSGAPSENNIMQWNAVIFGPEGTPFEDGTFKLVIEFSEEYPNKPPTVRFLSKMFHPNVYADGSICLDILQNRWSPTY |||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .STPARRRLMRDFKRLQEDPPVGVSGAPSEN.IMQWNAVIFGPEGTPFEDGTFKLVIEFSEEYPNKPPTVRFLSKMFHPNVYADGSICLDILQNRWSPTY --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-- DVSSILTSIQSLLDEPNPNSPANSQAAQLYQENKREYEKRVSAIVEQSWNDS ||||||||||||||||||||||| ||||||||||||||||||||||||| DVSSILTSIQSLLDEPNPNSPAN.QAAQLYQENKREYEKRVSAIVEQSW -------110-------120-------130-------140---------
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MSTPARRRLMRDFKRLQEDPPVGVSGAPSENNIMQWNAVIFGPEGTPFEDGTFKLVIEFSEEYPNKPPTVRFLSKMFHPNVYADGSICLDILQNRWSPTY |||||||||||||||||| |||||||| ||||||||||||| |||||||||||||||||| |||||| |||||||||||||||||||||||||| .STPARRRLMRDFKRLQED.PVGVSGAP.ENNIMQWNAVIFG....PFEDGTFKLVIEFSEEYP...PTVRFL.KMFHPNVYADGSICLDILQNRWSPTY --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-- DVSSILTSIQSLLDEPNPNSPANSQAAQLYQENKREYEKRVSAIVEQSWNDS |||||||||||||||||| ||||||||||||||||||||||||||||| DVSSILTSIQSLLDEPNP..PANSQAAQLYQENKREYEKRVSAIVEQSW -------110-------120-------130-------140---------