SOLUTION STRUCTURE OF DEAD RINGER-LIKE PROTEIN 1 (AT-RICH INTERACTIVE DOMAIN-CONTAINING PROTEIN 3A) FROM HOMO SAPIENS, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET HR4394C
MGHHHHHHSH MPDHGDWTYE EQFKQLYELD GDPKRKEFLD DLFSFMQKRG TPVNRIPIMA KQVLDLFMLY VLVTEKGGLV EVINKKLWRE ITKGLNLPTS ITSAAFTLRT QYMKYLYPYE CEKRGLSNPN ELQAAIDSNR REGRR
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 88.2 % (1571 of 1781) | 89.9 % (842 of 937) | 85.7 % (593 of 692) | 89.5 % (136 of 152) |
Backbone | 88.3 % (756 of 856) | 89.0 % (260 of 292) | 87.8 % (374 of 426) | 88.4 % (122 of 138) |
Sidechain | 87.9 % (933 of 1061) | 89.8 % (579 of 645) | 84.6 % (340 of 402) | 100.0 % (14 of 14) |
Aromatic | 60.5 % (104 of 172) | 73.3 % (63 of 86) | 46.4 % (39 of 84) | 100.0 % (2 of 2) |
Methyl | 100.0 % (138 of 138) | 100.0 % (69 of 69) | 100.0 % (69 of 69) |
1. HR4394C
MGHHHHHHSH MPDHGDWTYE EQFKQLYELD GDPKRKEFLD DLFSFMQKRG TPVNRIPIMA KQVLDLFMLY VLVTEKGGLV EVINKKLWRE ITKGLNLPTS ITSAAFTLRT QYMKYLYPYE CEKRGLSNPN ELQAAIDSNR REGRRSolvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.92 mM | |
2 | NACL | natural abundance | 200 mM |
Solvent system 100% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | entity | [U-100% 13C; U-100% 15N] | 0.92 mM | |
4 | NACL | natural abundance | 200 mM |
Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | entity | [U-10% 13C; U-100% 15N] | 0.95 mM | |
6 | NACL | natural abundance | 200 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 |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.92 mM | |
2 | NACL | natural abundance | 200 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | entity | [U-10% 13C; U-100% 15N] | 0.95 mM | |
6 | NACL | natural abundance | 200 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | entity | [U-10% 13C; U-100% 15N] | 0.95 mM | |
6 | NACL | natural abundance | 200 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.92 mM | |
2 | NACL | natural abundance | 200 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.92 mM | |
2 | NACL | natural abundance | 200 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.92 mM | |
2 | NACL | natural abundance | 200 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | entity | [U-100% 13C; U-100% 15N] | 0.92 mM | |
4 | NACL | natural abundance | 200 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | entity | [U-100% 13C; U-100% 15N] | 0.92 mM | |
4 | NACL | natural abundance | 200 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.92 mM | |
2 | NACL | natural abundance | 200 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.92 mM | |
2 | NACL | natural abundance | 200 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | entity | [U-100% 13C; U-100% 15N] | 0.92 mM | |
4 | NACL | natural abundance | 200 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.92 mM | |
2 | NACL | natural abundance | 200 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_16348_2kk0.nef |
Input source #2: Coordindates | 2kk0.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-------100 MGHHHHHHSHMPDHGDWTYEEQFKQLYELDGDPKRKEFLDDLFSFMQKRGTPVNRIPIMAKQVLDLFMLYVLVTEKGGLVEVINKKLWREITKGLNLPTS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MGHHHHHHSHMPDHGDWTYEEQFKQLYELDGDPKRKEFLDDLFSFMQKRGTPVNRIPIMAKQVLDLFMLYVLVTEKGGLVEVINKKLWREITKGLNLPTS -------110-------120-------130-------140----- ITSAAFTLRTQYMKYLYPYECEKRGLSNPNELQAAIDSNRREGRR ||||||||||||||||||||||||||||||||||||||||||||| ITSAAFTLRTQYMKYLYPYECEKRGLSNPNELQAAIDSNRREGRR
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 145 | 0 | 0 | 100.0 |
Content subtype: combined_16348_2kk0.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MGHHHHHHSHMPDHGDWTYEEQFKQLYELDGDPKRKEFLDDLFSFMQKRGTPVNRIPIMAKQVLDLFMLYVLVTEKGGLVEVINKKLWREITKGLNLPTS | ||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .G.......HMPDHGDWT...QFKQLYELDGDPKRKEFLDDLFSFMQKRGTPVNRIPIMAKQVLDLFMLYVLVTEKGGLVEVINKKLWREITKGLNLPTS -------110-------120-------130-------140----- ITSAAFTLRTQYMKYLYPYECEKRGLSNPNELQAAIDSNRREGRR ||||||||||||||||||||||||||||||||||||||||||||| ITSAAFTLRTQYMKYLYPYECEKRGLSNPNELQAAIDSNRREGRR
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
74 | THR | HG1 | 4.17 |
92 | THR | HG1 | 5.02 |
110 | THR | HG1 | 4.64 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 937 | 839 | 89.5 |
13C chemical shifts | 692 | 587 | 84.8 |
15N chemical shifts | 162 | 134 | 82.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 292 | 260 | 89.0 |
13C chemical shifts | 290 | 247 | 85.2 |
15N chemical shifts | 138 | 119 | 86.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 645 | 579 | 89.8 |
13C chemical shifts | 402 | 340 | 84.6 |
15N chemical shifts | 24 | 15 | 62.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 75 | 74 | 98.7 |
13C chemical shifts | 75 | 74 | 98.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 86 | 68 | 79.1 |
13C chemical shifts | 84 | 42 | 50.0 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MGHHHHHHSHMPDHGDWTYEEQFKQLYELDGDPKRKEFLDDLFSFMQKRGTPVNRIPIMAKQVLDLFMLYVLVTEKGGLVEVINKKLWREITKGLNLPTS ||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .........HMPDHGDWT...QFKQLYELDGDPKRKEFLDDLFSFMQKRGTPVNRIPIMAKQVLDLFMLYVLVTEKGGLVEVINKKLWREITKGLNLPTS -------110-------120-------130-------140----- ITSAAFTLRTQYMKYLYPYECEKRGLSNPNELQAAIDSNRREGRR ||||||||||||||||||||||||||||||||||||||||||||| ITSAAFTLRTQYMKYLYPYECEKRGLSNPNELQAAIDSNRREGRR
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MGHHHHHHSHMPDHGDWTYEEQFKQLYELDGDPKRKEFLDDLFSFMQKRGTPVNRIPIMAKQVLDLFMLYVLVTEKGGLVEVINKKLWREITKGLNLPTS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ......................FKQLYELDGDPKRKEFLDDLFSFMQKRGTPVNRIPIMAKQVLDLFMLYVLVTEKGGLVEVINKKLWREITKGLNLPTS --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140----- ITSAAFTLRTQYMKYLYPYECEKRGLSNPNELQAAIDSNRREGRR |||||||||||||||| |||||||||| |||||||||||||| ITSAAFTLRTQYMKYL.PYECEKRGLS.PNELQAAIDSNRRE -------110-------120-------130-------140--