BMRB: 31005

NMR structure of the cNTnC-cTnI chimera bound to W8

Authors

Cai, F., Kampourakis, T., Cockburn, K.T., 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 WW9 (non-polymer), 354.895 Da

Total weight

14557.913 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: 96.0 %, Completeness: 76.5 %, Completeness (bb): 76.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	76.5 % (1111 of 1452)	78.6 % (594 of 756)	72.0 % (403 of 560)	83.8 % (114 of 136)
Backbone	76.5 % (569 of 744)	82.8 % (212 of 256)	66.4 % (243 of 366)	93.4 % (114 of 122)
Sidechain	78.6 % (648 of 824)	76.4 % (382 of 500)	85.8 % (266 of 310)	0.0 % (0 of 14)
Aromatic	38.0 % (35 of 92)	39.1 % (18 of 46)	37.0 % (17 of 46)
Methyl	89.8 % (106 of 118)	84.7 % (50 of 59)	94.9 % (56 of 59)

1. entity 1

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

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Sample

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.7 (±0.1), Details 0.4 mM [U-100% 13C; U-100% 15N] cChimera_protein, 100 mM potassium chloride, 10 mM imidazole, 10 mM calcium chloride, 0.25 mM [U-99% 2H] DSS, 2.5 mM W8, 5 % [U-99% 2H] DMSO, 100% D2O

#	Name	Isotope labeling	Type	Concentration
1	cChimera_protein	[U-100% 13C; U-100% 15N]		0.4 mM
2	potassium chloride	natural abundance		100 mM
3	imidazole	natural abundance		10 mM
4	calcium chloride	natural abundance		10 mM
5	DSS	[U-99% 2H]		0.25 mM
6	W8	natural abundance		2.5 mM
7	DMSO	[U-99% 2H]		5 %

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Release date

2022-04-14

Citation

Drugging the Sarcomere, a Delicate Balance: Position of N-Terminal Charge of the Inhibitor W7
Cai, F., Kampourakis, T., Cockburn, K.T., Sykes, B.D.
ACS Chem. Biol. (2022), 17, 1495-1504, PubMed 35649123 , DOI 10.1021/acschembio.2c00126 , Abstract

Related entities 1. Troponin C, slow skeletal and cardiac muscles,Troponin I, cardiac muscle, entity 1, : 1 : 4 : 4 : 38 entities Detail

Experiments performed 3 experiments Detail