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BMRB: 30774


30774
7SC3
NMR structure of the cNTnC-cTnI chimera bound to calcium desensitizer W7
Authors
Cai, F., Robertson, I.M., Kampourakis, T., Klein, B.A., Sykes, B.D.
Assembly
Troponin C, slow skeletal and cardiac muscles, Troponin I, cardiac muscle
Entity
1. Troponin C, slow skeletal and cardiac muscles, Troponin I, cardiac muscle, entity 1 (polymer, Thiol state: not present), 125 monomers, 14162.94 Da Detail

MDDIYKAAVE QLTEEQKNEF KAAFDIFVLG AEDGSISTKE LGKVMRMLGQ NPTPEELQEM IDEVDEDGSG TVDFDEFLVM MVRSMKDDSK GKFKRPTLRR VRISADAMMQ ALLGARAKGH HHHHH


2. Troponin C, slow skeletal and cardiac muscles, Troponin I, cardiac muscle, entity CA (non-polymer), 40.078 Da
3. Troponin C, slow skeletal and cardiac muscles, Troponin I, cardiac muscle, entity V8Y (non-polymer), 369.863 Da
Total weight
14572.882 Da
Max. entity weight
14162.94 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 98.4 %, Completeness: 88.4 %, Completeness (bb): 94.9 % Detail
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Polymer type: polypeptide(L)

Total1H13C15N
All88.4 % (1284 of 1452)87.3 % (660 of 756)90.4 % (506 of 560)86.8 % (118 of 136)
Backbone94.9 % (706 of 744)94.9 % (243 of 256)94.5 % (346 of 366)95.9 % (117 of 122)
Sidechain83.7 % (690 of 824)83.4 % (417 of 500)87.7 % (272 of 310) 7.1 % (1 of 14)
Aromatic37.0 % (34 of 92)37.0 % (17 of 46)37.0 % (17 of 46)
Methyl97.5 % (115 of 118)96.6 % (57 of 59)98.3 % (58 of 59)

1. entity 1

MDDIYKAAVE QLTEEQKNEF KAAFDIFVLG AEDGSISTKE LGKVMRMLGQ NPTPEELQEM IDEVDEDGSG TVDFDEFLVM MVRSMKDDSK GKFKRPTLRR VRISADAMMQ ALLGARAKGH HHHHH

Show sample condition
Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.7 (±0.1), Details 0.5 mM [U-15N] cChimera_protein, 100 mM potassium chloride, 10 mM imidazole, 10 mM calcium chloride, 0.25 mM [U-99% 2H] DSS, 1.5 mM A7, 1 % [U-99% 2H] DMSO, 95% H2O/5% D2O


#NameIsotope labelingTypeConcentration
1cChimera_protein[U-15N]0.5 mM
2potassium chloridenatural abundance100 mM
3imidazolenatural abundance10 mM
4calcium chloridenatural abundance10 mM
5DSS[U-99% 2H]0.25 mM
6A7natural abundance1.5 mM
7DMSO[U-99% 2H]1 %
Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.7 (±0.1), Details 0.5 mM [U-15N] cChimera_protein, 100 mM potassium chloride, 10 mM imidazole, 10 mM calcium chloride, 0.25 mM [U-99% 2H] DSS, 0.7 mM A7, 1 mM [U-99% 2H] DMSO, 100% D2O


#NameIsotope labelingTypeConcentration
8cChimera_protein[U-15N]0.5 mM
9potassium chloridenatural abundance100 mM
10imidazolenatural abundance10 mM
11calcium chloridenatural abundance10 mM
12DSS[U-99% 2H]0.25 mM
13A7natural abundance0.7 mM
14DMSO[U-99% 2H]1 mM

Release date
2020-08-23
Citation
The Role of Electrostatics in the Mechanism of Cardiac Thin Filament Based Sensitizers
Cai, F., Robertson, I.M., Kampourakis, T., Klein, B.A., Sykes, B.D.
ACS Chem. Biol. (2020), 15, 2289-2298, PubMed 32633482 , DOI 10.1021/acschembio.0c00519 ,
Related entities 1. Troponin C, slow skeletal and cardiac muscles, Troponin I, cardiac muscle, entity 1, : 1 : 4 : 4 : 38 entities Detail
More details for 47 related entities
Experiments performed 3 experiments Detail
Chemical shift validation 5 contents Detail
Keywords EF hand, METAL BINDING PROTEIN, calcium binding protein, calcium modulator, cardiac troponin