R458
GSHMRLLWDY VYQLLSDSRY ENFIRWEDKE SKIFRIVDPN GLARLWGNHK NRTNMTYEKM SRALRHYYKL NIIRKEPGQR LLFRFMKTPD EIMSGRTDRL EHLESQVLDE QTYQEDEPTI ASPVGWPR
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 93.2 % (1490 of 1598) | 92.6 % (783 of 846) | 93.7 % (576 of 615) | 95.6 % (131 of 137) |
Backbone | 93.5 % (707 of 756) | 93.8 % (240 of 256) | 92.9 % (351 of 378) | 95.1 % (116 of 122) |
Sidechain | 93.3 % (899 of 964) | 92.0 % (543 of 590) | 95.0 % (341 of 359) | 100.0 % (15 of 15) |
Aromatic | 96.2 % (154 of 160) | 96.2 % (77 of 80) | 96.1 % (73 of 76) | 100.0 % (4 of 4) |
Methyl | 100.0 % (114 of 114) | 100.0 % (57 of 57) | 100.0 % (57 of 57) |
1. entity
GSHMRLLWDY VYQLLSDSRY ENFIRWEDKE SKIFRIVDPN GLARLWGNHK NRTNMTYEKM SRALRHYYKL NIIRKEPGQR LLFRFMKTPD EIMSGRTDRL EHLESQVLDE QTYQEDEPTI ASPVGWPRSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 200 mM | |
3 | ETV6_R458 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
4 | H20 | natural abundance | 90 % | |
5 | D20 | natural abundance | 10 % |
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 Unity - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 200 mM | |
3 | ETV6_R458 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
4 | H20 | natural abundance | 90 % | |
5 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 200 mM | |
3 | ETV6_R458 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
4 | H20 | natural abundance | 90 % | |
5 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 200 mM | |
3 | ETV6_R458 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
4 | H20 | natural abundance | 90 % | |
5 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 200 mM | |
3 | ETV6_R458 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
4 | H20 | natural abundance | 90 % | |
5 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 200 mM | |
3 | ETV6_R458 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
4 | H20 | natural abundance | 90 % | |
5 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 200 mM | |
3 | ETV6_R458 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
4 | H20 | natural abundance | 90 % | |
5 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 200 mM | |
3 | ETV6_R458 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
4 | H20 | natural abundance | 90 % | |
5 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 200 mM | |
3 | ETV6_R458 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
4 | H20 | natural abundance | 90 % | |
5 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 200 mM | |
3 | ETV6_R458 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
4 | H20 | natural abundance | 90 % | |
5 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 200 mM | |
3 | ETV6_R458 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
4 | H20 | natural abundance | 90 % | |
5 | D20 | natural abundance | 10 % |
Varian Unity - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 200 mM | |
3 | ETV6_R458 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
4 | H20 | natural abundance | 90 % | |
5 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 200 mM | |
3 | ETV6_R458 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
4 | H20 | natural abundance | 90 % | |
5 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 200 mM | |
3 | ETV6_R458 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
4 | H20 | natural abundance | 90 % | |
5 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 200 mM | |
3 | ETV6_R458 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
4 | H20 | natural abundance | 90 % | |
5 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 200 mM | |
3 | ETV6_R458 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
4 | H20 | natural abundance | 90 % | |
5 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 200 mM | |
3 | ETV6_R458 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
4 | H20 | natural abundance | 90 % | |
5 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details All NMR structural experiments carried out at pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 200 mM | |
3 | ETV6_R458 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
4 | H20 | natural abundance | 90 % | |
5 | D20 | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17742_2lf8.nef |
Input source #2: Coordindates | 2lf8.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
-------340-------350-------360-------370-------380-------390-------400-------410-------420-------430 GSHMRLLWDYVYQLLSDSRYENFIRWEDKESKIFRIVDPNGLARLWGNHKNRTNMTYEKMSRALRHYYKLNIIRKEPGQRLLFRFMKTPDEIMSGRTDRL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSHMRLLWDYVYQLLSDSRYENFIRWEDKESKIFRIVDPNGLARLWGNHKNRTNMTYEKMSRALRHYYKLNIIRKEPGQRLLFRFMKTPDEIMSGRTDRL --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------440-------450-------- EHLESQVLDEQTYQEDEPTIASPVGWPR |||||||||||||||||||||||||||| EHLESQVLDEQTYQEDEPTIASPVGWPR -------110-------120--------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 128 | 0 | 0 | 100.0 |
Content subtype: combined_17742_2lf8.nef
Assigned chemical shifts
-------340-------350-------360-------370-------380-------390-------400-------410-------420-------430 GSHMRLLWDYVYQLLSDSRYENFIRWEDKESKIFRIVDPNGLARLWGNHKNRTNMTYEKMSRALRHYYKLNIIRKEPGQRLLFRFMKTPDEIMSGRTDRL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ....RLLWDYVYQLLSDSRYENFIRWEDKESKIFRIVDPNGLARLWGNHKNRTNMTYEKMSRALRHYYKLNIIRKEPGQRLLFRFMKTPDEIMSGRTDRL -------440-------450-------- EHLESQVLDEQTYQEDEPTIASPVGWPR |||||||||||||||||||||||||||| EHLESQVLDEQTYQEDEPTIASPVGWPR
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
379 | HIS | ND1 | 200.985 |
379 | HIS | NE2 | 197.218 |
396 | HIS | ND1 | 201.474 |
396 | HIS | NE2 | 178.627 |
414 | ARG | HH11 | 6.866 |
414 | ARG | HH21 | 6.889 |
432 | HIS | ND1 | 193.549 |
432 | HIS | NE2 | 175.985 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 846 | 799 | 94.4 |
13C chemical shifts | 615 | 574 | 93.3 |
15N chemical shifts | 151 | 135 | 89.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 256 | 243 | 94.9 |
13C chemical shifts | 256 | 233 | 91.0 |
15N chemical shifts | 122 | 115 | 94.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 590 | 556 | 94.2 |
13C chemical shifts | 359 | 341 | 95.0 |
15N chemical shifts | 29 | 20 | 69.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 62 | 57 | 91.9 |
13C chemical shifts | 62 | 57 | 91.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 80 | 77 | 96.3 |
13C chemical shifts | 76 | 73 | 96.1 |
15N chemical shifts | 4 | 4 | 100.0 |
Distance restraints
-------340-------350-------360-------370-------380-------390-------400-------410-------420-------430 GSHMRLLWDYVYQLLSDSRYENFIRWEDKESKIFRIVDPNGLARLWGNHKNRTNMTYEKMSRALRHYYKLNIIRKEPGQRLLFRFMKTPDEIMSGRTDRL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ....RLLWDYVYQLLSDSRYENFIRWEDKESKIFRIVDPNGLARLWGNHKNRTNMTYEKMSRALRHYYKLNIIRKEPGQRLLFRFMKTPDEIMSGRTDRL -------440-------450-------- EHLESQVLDEQTYQEDEPTIASPVGWPR |||||||||||||||||||||||||||| EHLESQVLDEQTYQEDEPTIASPVGWPR
Dihedral angle restraints
-------340-------350-------360-------370-------380-------390-------400-------410-------420-------430 GSHMRLLWDYVYQLLSDSRYENFIRWEDKESKIFRIVDPNGLARLWGNHKNRTNMTYEKMSRALRHYYKLNIIRKEPGQRLLFRFMKTPDEIMSGRTDRL ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .....LLWDYVYQLLSDSRYENFIRWEDKESKIFRIVDPNGLARLWGNHKNRTNMTYEKMSRALRHYYKLNIIRKEPGQRLLFRFMKTPDEIMSGRTDRL -------340-------350-------360-------370-------380-------390-------400-------410-------420-------430 -------440-------450-------- EHLESQVLDEQTYQEDEPTIASPVGWPR ||||||||||| ||| EHLESQVLDEQ....DEP -------440--------