TICAM-2 TIR domain
GPLGSEEVFL KFVILHAEDD TDEALRVQNL LQDDFGIKPG IIFAEMPHGR QHLQNLDDAV NGSAWTILLL TENFLRDTWC NFQFYTSLMN SVNRQHKYNS VIPMRPLNNP LPRERTPFAL QTINALEEES RGFPTQVERI FQESVYKTQQ TIWKETRNMV QRQFIA
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 91.9 % (1859 of 2023) | 94.2 % (997 of 1058) | 88.7 % (692 of 780) | 91.9 % (170 of 185) |
Backbone | 94.6 % (925 of 978) | 95.8 % (316 of 330) | 94.5 % (464 of 491) | 92.4 % (145 of 157) |
Sidechain | 90.3 % (1087 of 1204) | 93.5 % (681 of 728) | 85.0 % (381 of 448) | 89.3 % (25 of 28) |
Aromatic | 63.4 % (118 of 186) | 86.0 % (80 of 93) | 38.9 % (35 of 90) | 100.0 % (3 of 3) |
Methyl | 100.0 % (182 of 182) | 100.0 % (91 of 91) | 100.0 % (91 of 91) |
1. TICAM-2 TIR
GPLGSEEVFL KFVILHAEDD TDEALRVQNL LQDDFGIKPG IIFAEMPHGR QHLQNLDDAV NGSAWTILLL TENFLRDTWC NFQFYTSLMN SVNRQHKYNS VIPMRPLNNP LPRERTPFAL QTINALEEES RGFPTQVERI FQESVYKTQQ TIWKETRNMV QRQFIASolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details TICAM-2 TIR (75-235)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TICAM-2 TIR | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES-NaOH | natural abundance | 50 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | glycerol | [U-100% 2H] | 5 % | |
5 | DSS | natural abundance | 0.02 mg/mL |
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 - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details TICAM-2 TIR (75-235)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TICAM-2 TIR | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES-NaOH | natural abundance | 50 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | glycerol | [U-100% 2H] | 5 % | |
5 | DSS | natural abundance | 0.02 mg/mL |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details TICAM-2 TIR (75-235)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TICAM-2 TIR | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES-NaOH | natural abundance | 50 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | glycerol | [U-100% 2H] | 5 % | |
5 | DSS | natural abundance | 0.02 mg/mL |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details TICAM-2 TIR (75-235)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TICAM-2 TIR | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES-NaOH | natural abundance | 50 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | glycerol | [U-100% 2H] | 5 % | |
5 | DSS | natural abundance | 0.02 mg/mL |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details TICAM-2 TIR (75-235)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TICAM-2 TIR | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES-NaOH | natural abundance | 50 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | glycerol | [U-100% 2H] | 5 % | |
5 | DSS | natural abundance | 0.02 mg/mL |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details TICAM-2 TIR (75-235)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TICAM-2 TIR | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES-NaOH | natural abundance | 50 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | glycerol | [U-100% 2H] | 5 % | |
5 | DSS | natural abundance | 0.02 mg/mL |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details TICAM-2 TIR (75-235)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TICAM-2 TIR | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES-NaOH | natural abundance | 50 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | glycerol | [U-100% 2H] | 5 % | |
5 | DSS | natural abundance | 0.02 mg/mL |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details TICAM-2 TIR (75-235)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TICAM-2 TIR | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES-NaOH | natural abundance | 50 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | glycerol | [U-100% 2H] | 5 % | |
5 | DSS | natural abundance | 0.02 mg/mL |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details TICAM-2 TIR (75-235)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TICAM-2 TIR | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES-NaOH | natural abundance | 50 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | glycerol | [U-100% 2H] | 5 % | |
5 | DSS | natural abundance | 0.02 mg/mL |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details TICAM-2 TIR (75-235)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TICAM-2 TIR | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES-NaOH | natural abundance | 50 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | glycerol | [U-100% 2H] | 5 % | |
5 | DSS | natural abundance | 0.02 mg/mL |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details TICAM-2 TIR (75-235)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TICAM-2 TIR | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES-NaOH | natural abundance | 50 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | glycerol | [U-100% 2H] | 5 % | |
5 | DSS | natural abundance | 0.02 mg/mL |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details TICAM-2 TIR (75-235)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TICAM-2 TIR | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES-NaOH | natural abundance | 50 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | glycerol | [U-100% 2H] | 5 % | |
5 | DSS | natural abundance | 0.02 mg/mL |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details TICAM-2 TIR (75-235)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TICAM-2 TIR | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES-NaOH | natural abundance | 50 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | glycerol | [U-100% 2H] | 5 % | |
5 | DSS | natural abundance | 0.02 mg/mL |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details TICAM-2 TIR (75-235)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TICAM-2 TIR | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES-NaOH | natural abundance | 50 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | glycerol | [U-100% 2H] | 5 % | |
5 | DSS | natural abundance | 0.02 mg/mL |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details TICAM-2 TIR (75-235)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TICAM-2 TIR | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES-NaOH | natural abundance | 50 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | glycerol | [U-100% 2H] | 5 % | |
5 | DSS | natural abundance | 0.02 mg/mL |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details TICAM-2 TIR (75-235)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TICAM-2 TIR | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES-NaOH | natural abundance | 50 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | glycerol | [U-100% 2H] | 5 % | |
5 | DSS | natural abundance | 0.02 mg/mL |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details TICAM-2 TIR (75-235)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TICAM-2 TIR | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES-NaOH | natural abundance | 50 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | glycerol | [U-100% 2H] | 5 % | |
5 | DSS | natural abundance | 0.02 mg/mL |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18882_2m1w.nef |
Input source #2: Coordindates | 2m1w.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
70-------80--------90-------100-------110-------120-------130-------140-------150-------160-------17 GPLGSEEVFLKFVILHAEDDTDEALRVQNLLQDDFGIKPGIIFAEMPHGRQHLQNLDDAVNGSAWTILLLTENFLRDTWCNFQFYTSLMNSVNRQHKYNS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPLGSEEVFLKFVILHAEDDTDEALRVQNLLQDDFGIKPGIIFAEMPHGRQHLQNLDDAVNGSAWTILLLTENFLRDTWCNFQFYTSLMNSVNRQHKYNS --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 0-------180-------190-------200-------210-------220-------230----- VIPMRPLNNPLPRERTPFALQTINALEEESRGFPTQVERIFQESVYKTQQTIWKETRNMVQRQFIA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| VIPMRPLNNPLPRERTPFALQTINALEEESRGFPTQVERIFQESVYKTQQTIWKETRNMVQRQFIA -------110-------120-------130-------140-------150-------160------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 166 | 0 | 0 | 100.0 |
Content subtype: combined_18882_2m1w.nef
Assigned chemical shifts
70-------80--------90-------100-------110-------120-------130-------140-------150-------160-------17 GPLGSEEVFLKFVILHAEDDTDEALRVQNLLQDDFGIKPGIIFAEMPHGRQHLQNLDDAVNGSAWTILLLTENFLRDTWCNFQFYTSLMNSVNRQHKYNS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPLGSEEVFLKFVILHAEDDTDEALRVQNLLQDDFGIKPGIIFAEMPHGRQHLQNLDDAVNGSAWTILLLTENFLRDTWCNFQFYTSLMNSVNRQHKYNS 0-------180-------190-------200-------210-------220-------230----- VIPMRPLNNPLPRERTPFALQTINALEEESRGFPTQVERIFQESVYKTQQTIWKETRNMVQRQFIA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| VIPMRPLNNPLPRERTPFALQTINALEEESRGFPTQVERIFQESVYKTQQTIWKETRNMVQRQFIA
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
90 | THR | HG1 | 6.526 |
98 | ASN | CG | 176.432 |
152 | GLN | CD | 179.983 |
160 | SER | HG | 5.797 |
178 | ASN | CG | 178.519 |
184 | ARG | CZ | 159.595 |
185 | THR | HG1 | 5.117 |
211 | GLN | CD | 179.995 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1058 | 1000 | 94.5 |
13C chemical shifts | 780 | 691 | 88.6 |
15N chemical shifts | 196 | 169 | 86.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 330 | 318 | 96.4 |
13C chemical shifts | 332 | 310 | 93.4 |
15N chemical shifts | 157 | 141 | 89.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 728 | 682 | 93.7 |
13C chemical shifts | 448 | 381 | 85.0 |
15N chemical shifts | 39 | 28 | 71.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 95 | 95 | 100.0 |
13C chemical shifts | 95 | 95 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 93 | 79 | 84.9 |
13C chemical shifts | 90 | 34 | 37.8 |
15N chemical shifts | 3 | 3 | 100.0 |
Distance restraints
70-------80--------90-------100-------110-------120-------130-------140-------150-------160-------17 GPLGSEEVFLKFVILHAEDDTDEALRVQNLLQDDFGIKPGIIFAEMPHGRQHLQNLDDAVNGSAWTILLLTENFLRDTWCNFQFYTSLMNSVNRQHKYNS |||||||||||||||||||||||||||||||||||||||||||||||| ||||||| |||||||||||||||||||||||||||||||||||||||||| GPLGSEEVFLKFVILHAEDDTDEALRVQNLLQDDFGIKPGIIFAEMPH..QHLQNLD.AVNGSAWTILLLTENFLRDTWCNFQFYTSLMNSVNRQHKYNS 0-------180-------190-------200-------210-------220-------230----- VIPMRPLNNPLPRERTPFALQTINALEEESRGFPTQVERIFQESVYKTQQTIWKETRNMVQRQFIA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| VIPMRPLNNPLPRERTPFALQTINALEEESRGFPTQVERIFQESVYKTQQTIWKETRNMVQRQFIA
Dihedral angle restraints
70-------80--------90-------100-------110-------120-------130-------140-------150-------160-------17 GPLGSEEVFLKFVILHAEDDTDEALRVQNLLQDDFGIKPGIIFAEMPHGRQHLQNLDDAVNGSAWTILLLTENFLRDTWCNFQFYTSLMNSVNRQHKYNS |||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||| || .........LKFVILHAEDDTDEALRVQNLLQDDFGIKPGIIFAEMP.......NLDDAVNGSAWTILLLTENFLRDTWCNFQFYTSLMNSVNRQ...NS 70-------80--------90-------100-------110-------120-------130-------140-------150-------160-------17 0-------180-------190-------200-------210-------220-------230----- VIPMRPLNNPLPRERTPFALQTINALEEESRGFPTQVERIFQESVYKTQQTIWKETRNMVQRQFIA |||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||| VIPMRPLNNPLPRERTPFALQTINALEEESRG.PTQVERIFQESVYKTQQTIWKETRNMVQ 0-------180-------190-------200-------210-------220-------230