Solution NMR Structure of the Helix-loop-Helix Domain of Human ID3 Protein, Northeast Structural Genomics Consortium Target HR3111A
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 76.7 % (594 of 774) | 76.9 % (309 of 402) | 77.9 % (236 of 303) | 71.0 % (49 of 69) |
Backbone | 73.3 % (293 of 400) | 70.5 % (98 of 139) | 76.6 % (151 of 197) | 68.8 % (44 of 64) |
Sidechain | 80.7 % (351 of 435) | 80.2 % (211 of 263) | 80.8 % (135 of 167) | 100.0 % (5 of 5) |
Aromatic | 41.7 % (20 of 48) | 41.7 % (10 of 24) | 41.7 % (10 of 24) | |
Methyl | 94.9 % (74 of 78) | 94.9 % (37 of 39) | 94.9 % (37 of 39) |
1. HR3111A
MGHHHHHHSH MGGGKGPAAE EPLSLLDDMN HCYSRLRELV PGVPRGTQLS QVEILQRVID YILDLQVVSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.9 mM [U-100% 13C; U-100% 15N] HR311A, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3111A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | TRIS | natural abundance | 10 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.5 mM [5% 13C; U-100% 15N] HR311A, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | HR3111A | [5% 13C; U-100% 15N] | 0.5 mM | |
9 | sodium chloride | natural abundance | 100 mM | |
10 | DTT | natural abundance | 10 mM | |
11 | TRIS | natural abundance | 10 mM | |
12 | sodium azide | natural abundance | 0.02 % | |
13 | H2O | natural abundance | 90 % | |
14 | D2O | 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 INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.9 mM [U-100% 13C; U-100% 15N] HR311A, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3111A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | TRIS | natural abundance | 10 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.9 mM [U-100% 13C; U-100% 15N] HR311A, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3111A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | TRIS | natural abundance | 10 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.9 mM [U-100% 13C; U-100% 15N] HR311A, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3111A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | TRIS | natural abundance | 10 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.9 mM [U-100% 13C; U-100% 15N] HR311A, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3111A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | TRIS | natural abundance | 10 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.9 mM [U-100% 13C; U-100% 15N] HR311A, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3111A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | TRIS | natural abundance | 10 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.9 mM [U-100% 13C; U-100% 15N] HR311A, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3111A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | TRIS | natural abundance | 10 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.9 mM [U-100% 13C; U-100% 15N] HR311A, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3111A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | TRIS | natural abundance | 10 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.9 mM [U-100% 13C; U-100% 15N] HR311A, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3111A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | TRIS | natural abundance | 10 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.9 mM [U-100% 13C; U-100% 15N] HR311A, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3111A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | TRIS | natural abundance | 10 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.9 mM [U-100% 13C; U-100% 15N] HR311A, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3111A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | TRIS | natural abundance | 10 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.9 mM [U-100% 13C; U-100% 15N] HR311A, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3111A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | TRIS | natural abundance | 10 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.9 mM [U-100% 13C; U-100% 15N] HR311A, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3111A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | TRIS | natural abundance | 10 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.9 mM [U-100% 13C; U-100% 15N] HR311A, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3111A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | TRIS | natural abundance | 10 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.9 mM [U-100% 13C; U-100% 15N] HR311A, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR3111A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | TRIS | natural abundance | 10 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.5 mM [5% 13C; U-100% 15N] HR311A, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | HR3111A | [5% 13C; U-100% 15N] | 0.5 mM | |
9 | sodium chloride | natural abundance | 100 mM | |
10 | DTT | natural abundance | 10 mM | |
11 | TRIS | natural abundance | 10 mM | |
12 | sodium azide | natural abundance | 0.02 % | |
13 | H2O | natural abundance | 90 % | |
14 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17753_2lfh.nef |
Input source #2: Coordindates | 2lfh.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-------- MGHHHHHHSHMGGGKGPAAEEPLSLLDDMNHCYSRLRELVPGVPRGTQLSQVEILQRVIDYILDLQVV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MGHHHHHHSHMGGGKGPAAEEPLSLLDDMNHCYSRLRELVPGVPRGTQLSQVEILQRVIDYILDLQVV
--------10--------20--------30--------40--------50--------60-------- MGHHHHHHSHMGGGKGPAAEEPLSLLDDMNHCYSRLRELVPGVPRGTQLSQVEILQRVIDYILDLQVV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MGHHHHHHSHMGGGKGPAAEEPLSLLDDMNHCYSRLRELVPGVPRGTQLSQVEILQRVIDYILDLQVV
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 68 | 0 | 0 | 100.0 |
B | B | 68 | 0 | 0 | 100.0 |
Content subtype: combined_17753_2lfh.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60-------- MGHHHHHHSHMGGGKGPAAEEPLSLLDDMNHCYSRLRELVPGVPRGTQLSQVEILQRVIDYILDLQVV |||||||||||||||||||||||||||||||||||||||||||||||||||| ................PAAEEPLSLLDDMNHCYSRLRELVPGVPRGTQLSQVEILQRVIDYILDLQVV
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
31 | HIS | ND1 | 219.395 |
31 | HIS | NE2 | 184.631 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 402 | 309 | 76.9 |
13C chemical shifts | 303 | 236 | 77.9 |
15N chemical shifts | 73 | 49 | 67.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 139 | 98 | 70.5 |
13C chemical shifts | 136 | 101 | 74.3 |
15N chemical shifts | 64 | 44 | 68.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 263 | 211 | 80.2 |
13C chemical shifts | 167 | 135 | 80.8 |
15N chemical shifts | 9 | 5 | 55.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 42 | 40 | 95.2 |
13C chemical shifts | 42 | 40 | 95.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 24 | 10 | 41.7 |
13C chemical shifts | 24 | 10 | 41.7 |
Distance restraints
--------10--------20--------30--------40--------50--------60-------- MGHHHHHHSHMGGGKGPAAEEPLSLLDDMNHCYSRLRELVPGVPRGTQLSQVEILQRVIDYILDLQVV ||||||||||||||||||||||||||||| |||||||||||||||||||||| ................PAAEEPLSLLDDMNHCYSRLRELVPGVPR.TQLSQVEILQRVIDYILDLQVV
--------10--------20--------30--------40--------50--------60-------- MGHHHHHHSHMGGGKGPAAEEPLSLLDDMNHCYSRLRELVPGVPRGTQLSQVEILQRVIDYILDLQVV ||||||||||||||||||||||||||||| |||||||||||||||||||||| ................PAAEEPLSLLDDMNHCYSRLRELVPGVPR.TQLSQVEILQRVIDYILDLQVV
Dihedral angle restraints