BMRB: 31006

NMR structure of the cNTnC-cTnI chimera bound to W6

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 WW6 (non-polymer), 326.842 Da

Total weight

14529.86 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): 75.8 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	76.5 % (1111 of 1452)	80.0 % (605 of 756)	70.2 % (393 of 560)	83.1 % (113 of 136)
Backbone	75.8 % (564 of 744)	84.4 % (216 of 256)	64.2 % (235 of 366)	92.6 % (113 of 122)
Sidechain	79.0 % (651 of 824)	77.2 % (386 of 500)	85.5 % (265 of 310)	0.0 % (0 of 14)
Aromatic	33.7 % (31 of 92)	30.4 % (14 of 46)	37.0 % (17 of 46)
Methyl	92.4 % (109 of 118)	89.8 % (53 of 59)	94.9 % (56 of 59)

1. entity 1

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

Show sample condition

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 W6, 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	W6	natural abundance		2.5 mM
7	DMSO	[U-99% 2H]		5 %

Hide sample codition

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

Entries sharing articles BMRB: 1 entries Detail

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