Solution Structure of F153W cardiac troponin C
MDDIYKAAVE QLTEEQKNEF KAAFDIFVLG AEDGSISTKE LGKVMRMLGQ NPTPEELQEM IDEVDEDGSG TVDFDEFLVM MVRSMKDDSK GKSEEELSDL FRMFDKNADG YIDLDELKIM LQATGETITE DDIEELMKDG DKNNDGRIDY DEWLEFMKGV E
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 81.1 % (1506 of 1858) | 83.4 % (809 of 970) | 75.3 % (541 of 718) | 91.8 % (156 of 170) |
Backbone | 83.8 % (806 of 962) | 95.5 % (317 of 332) | 71.3 % (336 of 471) | 96.2 % (153 of 159) |
Sidechain | 80.9 % (845 of 1045) | 77.1 % (492 of 638) | 88.4 % (350 of 396) | 27.3 % (3 of 11) |
Aromatic | 43.1 % (50 of 116) | 44.8 % (26 of 58) | 40.4 % (23 of 57) | 100.0 % (1 of 1) |
Methyl | 97.3 % (144 of 148) | 97.3 % (72 of 74) | 97.3 % (72 of 74) |
1. F153W
MDDIYKAAVE QLTEEQKNEF KAAFDIFVLG AEDGSISTKE LGKVMRMLGQ NPTPEELQEM IDEVDEDGSG TVDFDEFLVM MVRSMKDDSK GKSEEELSDL FRMFDKNADG YIDLDELKIM LQATGETITE DDIEELMKDG DKNNDGRIDY DEWLEFMKGV ESolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 (±0.5) K, pH 6.7 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | F153W | natural abundance | 1.0 (±0.2) mM | |
2 | Calcium | natural abundance | 10 (±1.0) mM | |
3 | potassium chloride | natural abundance | 100 (±10.0) mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 (±0.5) K, pH 6.7 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | F153W | natural abundance | 1.0 (±0.2) mM | |
2 | Calcium | natural abundance | 10 (±1.0) mM | |
3 | potassium chloride | natural abundance | 100 (±10.0) mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 (±0.5) K, pH 6.7 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | F153W | natural abundance | 1.0 (±0.2) mM | |
2 | Calcium | natural abundance | 10 (±1.0) mM | |
3 | potassium chloride | natural abundance | 100 (±10.0) mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 (±0.5) K, pH 6.7 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | F153W | natural abundance | 1.0 (±0.2) mM | |
2 | Calcium | natural abundance | 10 (±1.0) mM | |
3 | potassium chloride | natural abundance | 100 (±10.0) mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 (±0.5) K, pH 6.7 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | F153W | natural abundance | 1.0 (±0.2) mM | |
2 | Calcium | natural abundance | 10 (±1.0) mM | |
3 | potassium chloride | natural abundance | 100 (±10.0) mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 (±0.5) K, pH 6.7 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | F153W | natural abundance | 1.0 (±0.2) mM | |
2 | Calcium | natural abundance | 10 (±1.0) mM | |
3 | potassium chloride | natural abundance | 100 (±10.0) mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 (±0.5) K, pH 6.7 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | F153W | natural abundance | 1.0 (±0.2) mM | |
2 | Calcium | natural abundance | 10 (±1.0) mM | |
3 | potassium chloride | natural abundance | 100 (±10.0) mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_15388_2jt3.nef |
Input source #2: Coordindates | 2jt3.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 MDDIYKAAVEQLTEEQKNEFKAAFDIFVLGAEDGSISTKELGKVMRMLGQNPTPEELQEMIDEVDEDGSGTVDFDEFLVMMVRSMKDDSKGKSEEELSDL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MDDIYKAAVEQLTEEQKNEFKAAFDIFVLGAEDGSISTKELGKVMRMLGQNPTPEELQEMIDEVDEDGSGTVDFDEFLVMMVRSMKDDSKGKSEEELSDL -------110-------120-------130-------140-------150-------160- FRMFDKNADGYIDLDELKIMLQATGETITEDDIEELMKDGDKNNDGRIDYDEWLEFMKGVE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| FRMFDKNADGYIDLDELKIMLQATGETITEDDIEELMKDGDKNNDGRIDYDEWLEFMKGVE
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 161 | 0 | 0 | 100.0 |
Content subtype: combined_15388_2jt3.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MDDIYKAAVEQLTEEQKNEFKAAFDIFVLGAEDGSISTKELGKVMRMLGQNPTPEELQEMIDEVDEDGSGTVDFDEFLVMMVRSMKDDSKGKSEEELSDL ||||||||||||||||||||||||||||||||||| | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .DDIYKAAVEQLTEEQKNEFKAAFDIFVLGAEDGSI.T.ELGKVMRMLGQNPTPEELQEMIDEVDEDGSGTVDFDEFLVMMVRSMKDDSKGKSEEELSDL -------110-------120-------130-------140-------150-------160- FRMFDKNADGYIDLDELKIMLQATGETITEDDIEELMKDGDKNNDGRIDYDEWLEFMKGVE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| FRMFDKNADGYIDLDELKIMLQATGETITEDDIEELMKDGDKNNDGRIDYDEWLEFMKGVE
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
62 | ASP | CG | 30.05 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 718 | 508 | 70.8 |
1H chemical shifts | 970 | 790 | 81.4 |
15N chemical shifts | 174 | 154 | 88.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 322 | 158 | 49.1 |
1H chemical shifts | 332 | 316 | 95.2 |
15N chemical shifts | 159 | 152 | 95.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 396 | 350 | 88.4 |
1H chemical shifts | 638 | 474 | 74.3 |
15N chemical shifts | 15 | 2 | 13.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 85 | 82 | 96.5 |
1H chemical shifts | 85 | 83 | 97.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 57 | 23 | 40.4 |
1H chemical shifts | 58 | 26 | 44.8 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MDDIYKAAVEQLTEEQKNEFKAAFDIFVLGAEDGSISTKELGKVMRMLGQNPTPEELQEMIDEVDEDGSGTVDFDEFLVMMVRSMKDDSKGKSEEELSDL |||||||||||||||||||||||||||||||||| ||||||||||| | |||||||||||||||||||||||||||||||||||||||||||||| ..DIYKAAVEQLTEEQKNEFKAAFDIFVLGAEDGSI....LGKVMRMLGQN.T.EELQEMIDEVDEDGSGTVDFDEFLVMMVRSMKDDSKGKSEEELSDL -------110-------120-------130-------140-------150-------160- FRMFDKNADGYIDLDELKIMLQATGETITEDDIEELMKDGDKNNDGRIDYDEWLEFMKGVE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| FRMFDKNADGYIDLDELKIMLQATGETITEDDIEELMKDGDKNNDGRIDYDEWLEFMKGVE
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MDDIYKAAVEQLTEEQKNEFKAAFDIFVLGAEDGSISTKELGKVMRMLGQNPTPEELQEMIDEVDEDGSGTVDFDEFLVMMVRSMKDDSKGKSEEELSDL ||||||||||||||||||||||||||||| |||||||||||||||||||| ||||||||||||||| |||||||||||||||||||||| ||||||||| MDDIYKAAVEQLTEEQKNEFKAAFDIFVL..EDGSISTKELGKVMRMLGQN.TPEELQEMIDEVDED.SGTVDFDEFLVMMVRSMKDDSK.KSEEELSDL -------110-------120-------130-------140-------150-------160- FRMFDKNADGYIDLDELKIMLQATGETITEDDIEELMKDGDKNNDGRIDYDEWLEFMKGVE |||||||||||||||||||||| | |||||||||||||| |||||||||||||||||| || FRMFDKNADGYIDLDELKIMLQ.T.ETITEDDIEELMKD.DKNNDGRIDYDEWLEFMK.VE