Solution Structure of the UBA Domain of Human NBR1
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 84.8 % (526 of 620) | 91.0 % (294 of 323) | 76.3 % (180 of 236) | 85.2 % (52 of 61) |
Backbone | 82.9 % (257 of 310) | 97.2 % (103 of 106) | 68.0 % (104 of 153) | 98.0 % (50 of 51) |
Sidechain | 88.6 % (318 of 359) | 88.0 % (191 of 217) | 94.7 % (125 of 132) | 20.0 % (2 of 10) |
Aromatic | 77.8 % (28 of 36) | 77.8 % (14 of 18) | 77.8 % (14 of 18) | |
Methyl | 98.5 % (65 of 66) | 97.0 % (32 of 33) | 100.0 % (33 of 33) |
1. entity
GPLGSSEDQT AALMAHLFEM GFCDRQLNLR LLKKHNYNIL QVVTELLQLN NNSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6, Details Sample used for NMR-double and triple resonance experiments
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | potassium chloride | natural abundance | 5 mM | |
3 | EDTA | natural abundance | 1 mM | |
4 | benzamidine | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | NBR1 residues 913-959 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6, Details Sample used for NMR-double and triple resonance experiments
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | potassium chloride | natural abundance | 5 mM | |
3 | EDTA | natural abundance | 1 mM | |
4 | benzamidine | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | NBR1 residues 913-959 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6, Details Sample used for NMR-double and triple resonance experiments
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | potassium chloride | natural abundance | 5 mM | |
3 | EDTA | natural abundance | 1 mM | |
4 | benzamidine | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | NBR1 residues 913-959 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6, Details Sample used for NMR-double and triple resonance experiments
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | potassium chloride | natural abundance | 5 mM | |
3 | EDTA | natural abundance | 1 mM | |
4 | benzamidine | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | NBR1 residues 913-959 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6, Details Sample used for NMR-double and triple resonance experiments
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | potassium chloride | natural abundance | 5 mM | |
3 | EDTA | natural abundance | 1 mM | |
4 | benzamidine | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | NBR1 residues 913-959 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6, Details Sample used for NMR-double and triple resonance experiments
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | potassium chloride | natural abundance | 5 mM | |
3 | EDTA | natural abundance | 1 mM | |
4 | benzamidine | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | NBR1 residues 913-959 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6, Details Sample used for NMR-double and triple resonance experiments
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | potassium chloride | natural abundance | 5 mM | |
3 | EDTA | natural abundance | 1 mM | |
4 | benzamidine | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | NBR1 residues 913-959 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6, Details Sample used for NMR-double and triple resonance experiments
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | potassium chloride | natural abundance | 5 mM | |
3 | EDTA | natural abundance | 1 mM | |
4 | benzamidine | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | NBR1 residues 913-959 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6, Details Sample used for NMR-double and triple resonance experiments
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | potassium chloride | natural abundance | 5 mM | |
3 | EDTA | natural abundance | 1 mM | |
4 | benzamidine | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | NBR1 residues 913-959 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6, Details Sample used for NMR-double and triple resonance experiments
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | potassium chloride | natural abundance | 5 mM | |
3 | EDTA | natural abundance | 1 mM | |
4 | benzamidine | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | NBR1 residues 913-959 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6, Details Sample used for NMR-double and triple resonance experiments
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | potassium chloride | natural abundance | 5 mM | |
3 | EDTA | natural abundance | 1 mM | |
4 | benzamidine | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | NBR1 residues 913-959 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6, Details Sample used for NMR-double and triple resonance experiments
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | potassium chloride | natural abundance | 5 mM | |
3 | EDTA | natural abundance | 1 mM | |
4 | benzamidine | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | NBR1 residues 913-959 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6, Details Sample used for NMR-double and triple resonance experiments
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | potassium chloride | natural abundance | 5 mM | |
3 | EDTA | natural abundance | 1 mM | |
4 | benzamidine | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | NBR1 residues 913-959 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6, Details Sample used for NMR-double and triple resonance experiments
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | potassium phosphate | natural abundance | 20 mM | |
11 | potassium chloride | natural abundance | 5 mM | |
12 | EDTA | natural abundance | 1 mM | |
13 | benzamidine | natural abundance | 1 mM | |
14 | DTT | natural abundance | 1 mM | |
15 | sodium azide | natural abundance | 0.02 % | |
16 | NBR1 residues 913-959 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
17 | Pf1 phage | natural abundance | 12.5 mg/mL | |
18 | sodium chloride | natural abundance | 150 mM | |
19 | H2O | natural abundance | 95 % | |
20 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6, Details Sample used for NMR-double and triple resonance experiments
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 20 mM | |
2 | potassium chloride | natural abundance | 5 mM | |
3 | EDTA | natural abundance | 1 mM | |
4 | benzamidine | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | NBR1 residues 913-959 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_19606_2mgw.nef |
Input source #2: Coordindates | 2mgw.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
--910-----920-------930-------940-------950--------- GPLGSSEDQTAALMAHLFEMGFCDRQLNLRLLKKHNYNILQVVTELLQLNNN |||||||||||||||||||||||||||||||||||||||||||||||||||| GPLGSSEDQTAALMAHLFEMGFCDRQLNLRLLKKHNYNILQVVTELLQLNNN --------10--------20--------30--------40--------50--
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 52 | 0 | 0 | 100.0 |
Content subtype: combined_19606_2mgw.nef
Assigned chemical shifts
--910-----920-------930-------940-------950--------- GPLGSSEDQTAALMAHLFEMGFCDRQLNLRLLKKHNYNILQVVTELLQLNNN ||||||||||||||||||||||||||||||||||||||||||||||||||| .PLGSSEDQTAALMAHLFEMGFCDRQLNLRLLKKHNYNILQVVTELLQLNNN
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 323 | 290 | 89.8 |
13C chemical shifts | 236 | 176 | 74.6 |
15N chemical shifts | 63 | 50 | 79.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 106 | 103 | 97.2 |
13C chemical shifts | 104 | 51 | 49.0 |
15N chemical shifts | 51 | 50 | 98.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 217 | 187 | 86.2 |
13C chemical shifts | 132 | 125 | 94.7 |
15N chemical shifts | 12 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 35 | 33 | 94.3 |
13C chemical shifts | 35 | 33 | 94.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 18 | 14 | 77.8 |
13C chemical shifts | 18 | 14 | 77.8 |
Distance restraints
--910-----920-------930-------940-------950--------- GPLGSSEDQTAALMAHLFEMGFCDRQLNLRLLKKHNYNILQVVTELLQLNNN | ||||||||||||||||||||||||||||||||||||||||||||||| ..L..SEDQTAALMAHLFEMGFCDRQLNLRLLKKHNYNILQVVTELLQLNNN