Solution structure of the conserved C-terminal dimerization domain of Borealin
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 80.5 % (682 of 847) | 85.3 % (377 of 442) | 72.3 % (235 of 325) | 87.5 % (70 of 80) |
Backbone | 75.1 % (338 of 450) | 85.4 % (134 of 157) | 63.2 % (139 of 220) | 89.0 % (65 of 73) |
Sidechain | 88.0 % (409 of 465) | 85.3 % (243 of 285) | 93.1 % (161 of 173) | 71.4 % (5 of 7) |
Aromatic | 84.6 % (22 of 26) | 100.0 % (13 of 13) | 69.2 % (9 of 13) | |
Methyl | 95.7 % (88 of 92) | 95.7 % (44 of 46) | 95.7 % (44 of 46) |
1. Borealin
GSAGERIYNI SGNGSPLADS KEIFLTVPVG GGESLRLLAS DLQRHSIAQL DPEALGNIKK LSNRLAQICS SIRTHKSolvent system 100% D2O, Pressure 1 atm, Temperature 299 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Borealin | natural abundance | 0.6 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | D2O | natural abundance | 100 % |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 299 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | Borealin | [U-100% 15N] | 0.8 mM | |
6 | sodium phosphate | natural abundance | 40 mM | |
7 | sodium chloride | natural abundance | 100 mM | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 299 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | Borealin | [U-100% 13C; U-100% 15N] | 0.7 mM | |
11 | sodium phosphate | natural abundance | 40 mM | |
12 | sodium chloride | natural abundance | 100 mM | |
13 | H2O | natural abundance | 95 % | |
14 | D2O | natural abundance | 5 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 299 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
15 | Borealin | [U-100% 13C; U-100% 15N] | 0.7 mM | |
16 | sodium phosphate | natural abundance | 40 mM | |
17 | sodium chloride | natural abundance | 100 mM | |
18 | D2O | natural abundance | 100 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 299 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
19 | Borealin | [U-100% 13C; U-100% 15N] | 0.4 mM | |
20 | Borealin | natural abundance | 0.4 mM | |
21 | sodium phosphate | natural abundance | 40 mM | |
22 | sodium chloride | natural abundance | 100 mM | |
23 | D2O | natural abundance | 100 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Bruker DRX - 600 MHz cryogenic triple-resonance probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 299 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | Borealin | [U-100% 15N] | 0.8 mM | |
6 | sodium phosphate | natural abundance | 40 mM | |
7 | sodium chloride | natural abundance | 100 mM | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker DRX - 600 MHz cryogenic triple-resonance probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 299 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
15 | Borealin | [U-100% 13C; U-100% 15N] | 0.7 mM | |
16 | sodium phosphate | natural abundance | 40 mM | |
17 | sodium chloride | natural abundance | 100 mM | |
18 | D2O | natural abundance | 100 % |
Bruker DRX - 600 MHz cryogenic triple-resonance probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 299 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | Borealin | [U-100% 15N] | 0.8 mM | |
6 | sodium phosphate | natural abundance | 40 mM | |
7 | sodium chloride | natural abundance | 100 mM | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker DRX - 600 MHz cryogenic triple-resonance probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 299 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Borealin | natural abundance | 0.6 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | D2O | natural abundance | 100 % |
Bruker DRX - 600 MHz cryogenic triple-resonance probe
State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 299 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | Borealin | [U-100% 15N] | 0.8 mM | |
6 | sodium phosphate | natural abundance | 40 mM | |
7 | sodium chloride | natural abundance | 100 mM | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker DRX - 600 MHz cryogenic triple-resonance probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 299 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
19 | Borealin | [U-100% 13C; U-100% 15N] | 0.4 mM | |
20 | Borealin | natural abundance | 0.4 mM | |
21 | sodium phosphate | natural abundance | 40 mM | |
22 | sodium chloride | natural abundance | 100 mM | |
23 | D2O | natural abundance | 100 % |
Bruker DRX - 600 MHz cryogenic triple-resonance probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 299 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | Borealin | [U-100% 13C; U-100% 15N] | 0.7 mM | |
11 | sodium phosphate | natural abundance | 40 mM | |
12 | sodium chloride | natural abundance | 100 mM | |
13 | H2O | natural abundance | 95 % | |
14 | D2O | natural abundance | 5 % |
Bruker DRX - 600 MHz cryogenic triple-resonance probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 299 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | Borealin | [U-100% 13C; U-100% 15N] | 0.7 mM | |
11 | sodium phosphate | natural abundance | 40 mM | |
12 | sodium chloride | natural abundance | 100 mM | |
13 | H2O | natural abundance | 95 % | |
14 | D2O | natural abundance | 5 % |
Bruker DRX - 600 MHz cryogenic triple-resonance probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 299 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | Borealin | [U-100% 13C; U-100% 15N] | 0.7 mM | |
11 | sodium phosphate | natural abundance | 40 mM | |
12 | sodium chloride | natural abundance | 100 mM | |
13 | H2O | natural abundance | 95 % | |
14 | D2O | natural abundance | 5 % |
Bruker DRX - 600 MHz cryogenic triple-resonance probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 299 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | Borealin | [U-100% 13C; U-100% 15N] | 0.7 mM | |
11 | sodium phosphate | natural abundance | 40 mM | |
12 | sodium chloride | natural abundance | 100 mM | |
13 | H2O | natural abundance | 95 % | |
14 | D2O | natural abundance | 5 % |
Bruker DRX - 600 MHz cryogenic triple-resonance probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 299 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | Borealin | [U-100% 13C; U-100% 15N] | 0.7 mM | |
11 | sodium phosphate | natural abundance | 40 mM | |
12 | sodium chloride | natural abundance | 100 mM | |
13 | H2O | natural abundance | 95 % | |
14 | D2O | natural abundance | 5 % |
Bruker DRX - 600 MHz cryogenic triple-resonance probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 299 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
15 | Borealin | [U-100% 13C; U-100% 15N] | 0.7 mM | |
16 | sodium phosphate | natural abundance | 40 mM | |
17 | sodium chloride | natural abundance | 100 mM | |
18 | D2O | natural abundance | 100 % |
Bruker DRX - 600 MHz cryogenic triple-resonance probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 299 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | Borealin | [U-100% 15N] | 0.8 mM | |
6 | sodium phosphate | natural abundance | 40 mM | |
7 | sodium chloride | natural abundance | 100 mM | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker DRX - 600 MHz cryogenic triple-resonance probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 299 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | Borealin | [U-100% 13C; U-100% 15N] | 0.7 mM | |
11 | sodium phosphate | natural abundance | 40 mM | |
12 | sodium chloride | natural abundance | 100 mM | |
13 | H2O | natural abundance | 95 % | |
14 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_16110_2kdd.nef |
Input source #2: Coordindates | 2kdd.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
---210-------220-------230-------240-------250-------260-------270-------280 GSAGERIYNISGNGSPLADSKEIFLTVPVGGGESLRLLASDLQRHSIAQLDPEALGNIKKLSNRLAQICSSIRTHK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSAGERIYNISGNGSPLADSKEIFLTVPVGGGESLRLLASDLQRHSIAQLDPEALGNIKKLSNRLAQICSSIRTHK --------10--------20--------30--------40--------50--------60--------70------
---210-------220-------230-------240-------250-------260-------270-------280 GSAGERIYNISGNGSPLADSKEIFLTVPVGGGESLRLLASDLQRHSIAQLDPEALGNIKKLSNRLAQICSSIRTHK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSAGERIYNISGNGSPLADSKEIFLTVPVGGGESLRLLASDLQRHSIAQLDPEALGNIKKLSNRLAQICSSIRTHK --------10--------20--------30--------40--------50--------60--------70------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 76 | 0 | 0 | 100.0 |
B | B | 76 | 0 | 0 | 100.0 |
Content subtype: combined_16110_2kdd.nef
Assigned chemical shifts
---210-------220-------230-------240-------250-------260-------270-------280 GSAGERIYNISGNGSPLADSKEIFLTVPVGGGESLRLLASDLQRHSIAQLDPEALGNIKKLSNRLAQICSSIRTHK |||||||| ||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||| || ...GERIYNIS..GSPLADSKEIFLTVPVG.GESLRLLASDLQRHSIAQLDPEALGNIKKLSNRLAQICSSIR.HK
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
266 | SER | HG | 5.618 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 442 | 376 | 85.1 |
13C chemical shifts | 325 | 225 | 69.2 |
15N chemical shifts | 85 | 68 | 80.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 157 | 135 | 86.0 |
13C chemical shifts | 152 | 66 | 43.4 |
15N chemical shifts | 73 | 63 | 86.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 285 | 241 | 84.6 |
13C chemical shifts | 173 | 159 | 91.9 |
15N chemical shifts | 12 | 5 | 41.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 46 | 44 | 95.7 |
13C chemical shifts | 46 | 44 | 95.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 13 | 13 | 100.0 |
13C chemical shifts | 13 | 9 | 69.2 |
Distance restraints
---210-------220-------230-------240-------250-------260-------270-------280 GSAGERIYNISGNGSPLADSKEIFLTVPVGGGESLRLLASDLQRHSIAQLDPEALGNIKKLSNRLAQICSSIRTHK |||||||| ||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||| || ...GERIYNIS..GSPLADSKEIFLTVPVG.GESLRLLASDLQRHSIAQLDPEALGNIKKLSNRLAQICSSIR.HK
---210-------220-------230-------240-------250-------260-------270-------280 GSAGERIYNISGNGSPLADSKEIFLTVPVGGGESLRLLASDLQRHSIAQLDPEALGNIKKLSNRLAQICSSIRTHK |||||||| ||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||| || ...GERIYNIS..GSPLADSKEIFLTVPVG.GESLRLLASDLQRHSIAQLDPEALGNIKKLSNRLAQICSSIR.HK
Dihedral angle restraints
---210-------220-------230-------240-------250-------260-------270-------280 GSAGERIYNISGNGSPLADSKEIFLTVPVGGGESLRLLASDLQRHSIAQLDPEALGNIKKLSNRLAQICSSIRTHK |||||||| ||||||||||||||||||||||||||||||||||||||||||| .....................EIFLTVPV..GESLRLLASDLQRHSIAQLDPEALGNIKKLSNRLAQICSSIRT ---210-------220-------230-------240-------250-------260-------270--------
---210-------220-------230-------240-------250-------260-------270-------280 GSAGERIYNISGNGSPLADSKEIFLTVPVGGGESLRLLASDLQRHSIAQLDPEALGNIKKLSNRLAQICSSIRTHK |||||||| ||||||||||||||||||||||||||||||||||||||||||| .....................EIFLTVPV..GESLRLLASDLQRHSIAQLDPEALGNIKKLSNRLAQICSSIRT ---210-------220-------230-------240-------250-------260-------270--------
RDC restraints
---210-------220-------230-------240-------250-------260-------270-------280 GSAGERIYNISGNGSPLADSKEIFLTVPVGGGESLRLLASDLQRHSIAQLDPEALGNIKKLSNRLAQICSSIRTHK ||||| || ||||| | ||||||| ||||| ||||||||||||||| ......................IFLTV.VG..ESLRL...D...HSIAQLD.EALGN.KKLSNRLAQICSSIR ---210-------220-------230-------240-------250-------260-------270-------
---210-------220-------230-------240-------250-------260-------270-------280 GSAGERIYNISGNGSPLADSKEIFLTVPVGGGESLRLLASDLQRHSIAQLDPEALGNIKKLSNRLAQICSSIRTHK ||||| || ||||| | ||||||| ||||| ||||||||||||||| ......................IFLTV.VG..ESLRL...D...HSIAQLD.EALGN.KKLSNRLAQICSSIR ---210-------220-------230-------240-------250-------260-------270-------