Solution NMR Structure of the DNA-Binding Domain of Human NF-E2-Related Factor 2, Northeast Structural Genomics Consortium (NESG) Target HR3520O
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 86.4 % (953 of 1103) | 86.2 % (504 of 585) | 86.5 % (365 of 422) | 87.5 % (84 of 96) |
Backbone | 90.4 % (483 of 534) | 89.9 % (161 of 179) | 91.0 % (244 of 268) | 89.7 % (78 of 87) |
Sidechain | 84.0 % (552 of 657) | 84.5 % (343 of 406) | 83.9 % (203 of 242) | 66.7 % (6 of 9) |
Aromatic | 45.7 % (32 of 70) | 45.7 % (16 of 35) | 45.7 % (16 of 35) | |
Methyl | 95.7 % (88 of 92) | 95.7 % (44 of 46) | 95.7 % (44 of 46) |
1. HR3520O
MGHHHHHHSH MKHSSRLEAH LTRDELRAKA LHIPFPVEKI INLPVVDFNE MMSKEQFNEA QLALIRDIRR RGKNKVAAQN CRKRKLENIVSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.5 mM HR3520O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3520O | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | DSS | natural abundance | 50 uM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Arginine | natural abundance | 50 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | ammonium acetate | natural abundance | 50 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.5 mM HR3520O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | HR3520O | [5% 13C; U-100% 15N] | 0.5 mM | |
8 | DSS | natural abundance | 50 uM | |
9 | sodium azide | natural abundance | 0.02 % | |
10 | Arginine | natural abundance | 50 mM | |
11 | DTT | natural abundance | 10 mM | |
12 | ammonium acetate | natural abundance | 50 mM |
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 INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.5 mM HR3520O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3520O | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | DSS | natural abundance | 50 uM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Arginine | natural abundance | 50 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | ammonium acetate | natural abundance | 50 mM |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.5 mM HR3520O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3520O | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | DSS | natural abundance | 50 uM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Arginine | natural abundance | 50 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | ammonium acetate | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.5 mM HR3520O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3520O | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | DSS | natural abundance | 50 uM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Arginine | natural abundance | 50 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | ammonium acetate | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.5 mM HR3520O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3520O | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | DSS | natural abundance | 50 uM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Arginine | natural abundance | 50 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | ammonium acetate | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.5 mM HR3520O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3520O | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | DSS | natural abundance | 50 uM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Arginine | natural abundance | 50 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | ammonium acetate | natural abundance | 50 mM |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.5 mM HR3520O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3520O | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | DSS | natural abundance | 50 uM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Arginine | natural abundance | 50 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | ammonium acetate | natural abundance | 50 mM |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.5 mM HR3520O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3520O | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | DSS | natural abundance | 50 uM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Arginine | natural abundance | 50 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | ammonium acetate | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.5 mM HR3520O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3520O | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | DSS | natural abundance | 50 uM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Arginine | natural abundance | 50 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | ammonium acetate | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.5 mM HR3520O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3520O | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | DSS | natural abundance | 50 uM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Arginine | natural abundance | 50 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | ammonium acetate | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.5 mM HR3520O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3520O | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | DSS | natural abundance | 50 uM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Arginine | natural abundance | 50 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | ammonium acetate | natural abundance | 50 mM |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.5 mM HR3520O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3520O | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | DSS | natural abundance | 50 uM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Arginine | natural abundance | 50 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | ammonium acetate | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.5 mM HR3520O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | HR3520O | [5% 13C; U-100% 15N] | 0.5 mM | |
8 | DSS | natural abundance | 50 uM | |
9 | sodium azide | natural abundance | 0.02 % | |
10 | Arginine | natural abundance | 50 mM | |
11 | DTT | natural abundance | 10 mM | |
12 | ammonium acetate | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.5 mM HR3520O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3520O | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | DSS | natural abundance | 50 uM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Arginine | natural abundance | 50 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | ammonium acetate | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.5 mM HR3520O, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3520O | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | DSS | natural abundance | 50 uM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Arginine | natural abundance | 50 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | ammonium acetate | natural abundance | 50 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18735_2lz1.nef |
Input source #2: Coordindates | 2lz1.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 MGHHHHHHSHMKHSSRLEAHLTRDELRAKALHIPFPVEKIINLPVVDFNEMMSKEQFNEAQLALIRDIRRRGKNKVAAQNCRKRKLENIV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MGHHHHHHSHMKHSSRLEAHLTRDELRAKALHIPFPVEKIINLPVVDFNEMMSKEQFNEAQLALIRDIRRRGKNKVAAQNCRKRKLENIV
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 90 | 0 | 0 | 100.0 |
Content subtype: combined_18735_2lz1.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90 MGHHHHHHSHMKHSSRLEAHLTRDELRAKALHIPFPVEKIINLPVVDFNEMMSKEQFNEAQLALIRDIRRRGKNKVAAQNCRKRKLENIV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ........SHMKHSSRLEAHLTRDELRAKALHIPFPVEKIINLPVVDFNEMMSKEQFNEAQLALIRDIRRRGKNKVAAQNCRKRKLENIV
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
69 | ARG | HH11 | 5.92 |
69 | ARG | HH12 | 5.92 |
69 | ARG | HH21 | 5.92 |
69 | ARG | HH22 | 5.92 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 585 | 497 | 85.0 |
13C chemical shifts | 422 | 358 | 84.8 |
15N chemical shifts | 105 | 86 | 81.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 179 | 160 | 89.4 |
13C chemical shifts | 180 | 160 | 88.9 |
15N chemical shifts | 87 | 78 | 89.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 406 | 337 | 83.0 |
13C chemical shifts | 242 | 198 | 81.8 |
15N chemical shifts | 18 | 8 | 44.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 50 | 44 | 88.0 |
13C chemical shifts | 50 | 44 | 88.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 35 | 14 | 40.0 |
13C chemical shifts | 35 | 14 | 40.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90 MGHHHHHHSHMKHSSRLEAHLTRDELRAKALHIPFPVEKIINLPVVDFNEMMSKEQFNEAQLALIRDIRRRGKNKVAAQNCRKRKLENIV || |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..........MK.SSRLEAHLTRDELRAKALHIPFPVEKIINLPVVDFNEMMSKEQFNEAQLALIRDIRRRGKNKVAAQNCRKRKLE --------10--------20--------30--------40--------50--------60--------70--------80-------
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90 MGHHHHHHSHMKHSSRLEAHLTRDELRAKALHIPFPVEKIINLPVVDFNEMMSKEQFNEAQLALIRDIRRRGKNKVAAQNCRKRKLENIV ||||||||||||| |||||||||||||||||||| |||||||||||||||| .....................TRDELRAKALHIP.PVEKIINLPVVDFNEMMSKE.FNEAQLALIRDIRRRG --------10--------20--------30--------40--------50--------60--------70--