Solution NMR structure of human NFATC2IP ubiquitin-like domain, NFATC2IP_244_338, NESG target HT65A/OCSP target hs00387_244_338/SGC-toronto
QGQEDEVVLV EGPTLPETPR LFPLKIRCRA DLVRLPLRMS EPLQSVVDHM ATHLGVSPSR ILLLFGETEL SPTATPRTLK LGVADIIDCV VLTSS
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 95.8 % (1038 of 1084) | 95.5 % (536 of 561) | 95.9 % (416 of 434) | 96.6 % (86 of 89) |
Backbone | 97.6 % (539 of 552) | 98.4 % (183 of 186) | 96.8 % (271 of 280) | 98.8 % (85 of 86) |
Sidechain | 94.7 % (589 of 622) | 94.1 % (353 of 375) | 96.3 % (235 of 244) | 33.3 % (1 of 3) |
Aromatic | 53.6 % (15 of 28) | 64.3 % (9 of 14) | 42.9 % (6 of 14) | |
Methyl | 99.3 % (143 of 144) | 100.0 % (72 of 72) | 98.6 % (71 of 72) |
1. NFATC2IP 244 338
QGQEDEVVLV EGPTLPETPR LFPLKIRCRA DLVRLPLRMS EPLQSVVDHM ATHLGVSPSR ILLLFGETEL SPTATPRTLK LGVADIIDCV VLTSSSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NFATC2IP_244_338 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | zinc sulphate | natural abundance | 10 uM | |
5 | DTT | [U-100% 2H] | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM | |
8 | inhibitor cocktail | natural abundance | 1 na | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | NFATC2IP_244_338 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
12 | TRIS | [U-100% 2H] | 10 mM | |
13 | sodium chloride | natural abundance | 300 mM | |
14 | zinc sulphate | natural abundance | 10 uM | |
15 | DTT | [U-100% 2H] | 10 mM | |
16 | NaN3 | natural abundance | 0.01 % | |
17 | benzamidine | natural abundance | 10 mM | |
18 | inhibitor cocktail | natural abundance | 1 na | |
19 | H2O | natural abundance | 90 % | |
20 | 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 |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NFATC2IP_244_338 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | zinc sulphate | natural abundance | 10 uM | |
5 | DTT | [U-100% 2H] | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM | |
8 | inhibitor cocktail | natural abundance | 1 na | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NFATC2IP_244_338 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | zinc sulphate | natural abundance | 10 uM | |
5 | DTT | [U-100% 2H] | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM | |
8 | inhibitor cocktail | natural abundance | 1 na | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NFATC2IP_244_338 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | zinc sulphate | natural abundance | 10 uM | |
5 | DTT | [U-100% 2H] | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM | |
8 | inhibitor cocktail | natural abundance | 1 na | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NFATC2IP_244_338 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | zinc sulphate | natural abundance | 10 uM | |
5 | DTT | [U-100% 2H] | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM | |
8 | inhibitor cocktail | natural abundance | 1 na | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NFATC2IP_244_338 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | zinc sulphate | natural abundance | 10 uM | |
5 | DTT | [U-100% 2H] | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM | |
8 | inhibitor cocktail | natural abundance | 1 na | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NFATC2IP_244_338 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | zinc sulphate | natural abundance | 10 uM | |
5 | DTT | [U-100% 2H] | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM | |
8 | inhibitor cocktail | natural abundance | 1 na | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NFATC2IP_244_338 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | zinc sulphate | natural abundance | 10 uM | |
5 | DTT | [U-100% 2H] | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM | |
8 | inhibitor cocktail | natural abundance | 1 na | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NFATC2IP_244_338 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | zinc sulphate | natural abundance | 10 uM | |
5 | DTT | [U-100% 2H] | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM | |
8 | inhibitor cocktail | natural abundance | 1 na | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NFATC2IP_244_338 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | zinc sulphate | natural abundance | 10 uM | |
5 | DTT | [U-100% 2H] | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM | |
8 | inhibitor cocktail | natural abundance | 1 na | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | NFATC2IP_244_338 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
12 | TRIS | [U-100% 2H] | 10 mM | |
13 | sodium chloride | natural abundance | 300 mM | |
14 | zinc sulphate | natural abundance | 10 uM | |
15 | DTT | [U-100% 2H] | 10 mM | |
16 | NaN3 | natural abundance | 0.01 % | |
17 | benzamidine | natural abundance | 10 mM | |
18 | inhibitor cocktail | natural abundance | 1 na | |
19 | H2O | natural abundance | 90 % | |
20 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17345_2l76.nef |
Input source #2: Coordindates | 2l76.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
----250-------260-------270-------280-------290-------300-------310-------320-------330-------- QGQEDEVVLVEGPTLPETPRLFPLKIRCRADLVRLPLRMSEPLQSVVDHMATHLGVSPSRILLLFGETELSPTATPRTLKLGVADIIDCVVLTSS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| QGQEDEVVLVEGPTLPETPRLFPLKIRCRADLVRLPLRMSEPLQSVVDHMATHLGVSPSRILLLFGETELSPTATPRTLKLGVADIIDCVVLTSS --------10--------20--------30--------40--------50--------60--------70--------80--------90-----
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 95 | 0 | 0 | 100.0 |
Content subtype: combined_17345_2l76.nef
Assigned chemical shifts
----250-------260-------270-------280-------290-------300-------310-------320-------330-------- QGQEDEVVLVEGPTLPETPRLFPLKIRCRADLVRLPLRMSEPLQSVVDHMATHLGVSPSRILLLFGETELSPTATPRTLKLGVADIIDCVVLTSS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| QGQEDEVVLVEGPTLPETPRLFPLKIRCRADLVRLPLRMSEPLQSVVDHMATHLGVSPSRILLLFGETELSPTATPRTLKLGVADIIDCVVLTSS
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 561 | 545 | 97.1 |
13C chemical shifts | 434 | 414 | 95.4 |
15N chemical shifts | 96 | 87 | 90.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 186 | 185 | 99.5 |
13C chemical shifts | 190 | 180 | 94.7 |
15N chemical shifts | 86 | 85 | 98.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 375 | 360 | 96.0 |
13C chemical shifts | 244 | 234 | 95.9 |
15N chemical shifts | 10 | 2 | 20.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 74 | 74 | 100.0 |
13C chemical shifts | 74 | 72 | 97.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 14 | 9 | 64.3 |
13C chemical shifts | 14 | 6 | 42.9 |
Distance restraints
----250-------260-------270-------280-------290-------300-------310-------320-------330-------- QGQEDEVVLVEGPTLPETPRLFPLKIRCRADLVRLPLRMSEPLQSVVDHMATHLGVSPSRILLLFGETELSPTATPRTLKLGVADIIDCVVLTSS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..QEDEVVLVEGPTLPETPRLFPLKIRCRADLVRLPLRMSEPLQSVVDHMATHLGVSPSRILLLFGETELSPTATPRTLKLGVADIIDCVVLTSS
Dihedral angle restraints
----250-------260-------270-------280-------290-------300-------310-------320-------330-------- QGQEDEVVLVEGPTLPETPRLFPLKIRCRADLVRLPLRMSEPLQSVVDHMATHLGVSPSRILLLFGETELSPTATPRTLKLGVADIIDCVVLTSS ||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||| ...............PETPRLFPLKIRCRADLVRLPLRMSEPLQSVVDHMATHLGVSPSRILLLFG..ELSPTATPRTLKLGVADIIDCVVL ----250-------260-------270-------280-------290-------300-------310-------320-------330-----