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BMRB: 15385

2JT0

Solution structure of F104W cardiac troponin C

Authors

Wang, X., Mercier, P., Letourneau, P., Sykes, B.D.

Assembly

F104W cTnC

Entity

1. F104W (polymer, Thiol state: not present), 161 monomers, 18409.24 Da Detail

MDDIYKAAVE QLTEEQKNEF KAAFDIFVLG AEDGSISTKE LGKVMRMLGQ NPTPEELQEM IDEVDEDGSG TVDFDEFLVM MVRSMKDDSK GKSEEELSDL FRMWDKNADG YIDLDELKIM LQATGETITE DDIEELMKDG DKNNDGRIDY DEFLEFMKGV E

2. CA (non-polymer), 40.078 Da

Total weight

18449.318 Da

Max. entity weight

18409.24 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.8 %, Completeness: 85.8 %, Completeness (bb): 84.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.8 % (1594 of 1858)	92.5 % (897 of 970)	74.8 % (537 of 718)	94.1 % (160 of 170)
Backbone	84.1 % (809 of 962)	97.6 % (324 of 332)	69.6 % (328 of 471)	98.7 % (157 of 159)
Sidechain	89.1 % (931 of 1045)	89.8 % (573 of 638)	89.6 % (355 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	100.0 % (148 of 148)	100.0 % (74 of 74)	100.0 % (74 of 74)

1. F104W

MDDIYKAAVE QLTEEQKNEF KAAFDIFVLG AEDGSISTKE LGKVMRMLGQ NPTPEELQEM IDEVDEDGSG TVDFDEFLVM MVRSMKDDSK GKSEEELSDL FRMWDKNADG YIDLDELKIM LQATGETITE DDIEELMKDG DKNNDGRIDY DEFLEFMKGV E

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 (±0.5) K, pH 6.7 (±0.2)

#	Name	Isotope labeling	Concentration
1	F104W	[U-100% 13C; U-100% 15N]	1.0 (±0.2) mM
2	Calcium	natural abundance	10 (±1.0) mM
3	potassium chloride	natural abundance	100 (±10.0) mM
4	H2O		90 %
5	D2O		10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -0.05 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -0.05 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -0.01 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2JT0, Strand ID: A Detail

Release date

2007-08-14

Citation

Effects of Phe-to-Trp mutation and fluorotryptophan incorporation on the solution structure of cardiac troponin C, and analysis of its suitability as a potential probe for in situ NMR studies
Wang, X., Mercier, P., Letourneau, P., Sykes, B.
Protein Sci. (2005), 14, 2447-2460, PubMed 16131667 , DOI 10.1110/ps.051595805 , Abstract

Related entities 1. F104W, : 1 : 13 : 1 : 234 entities Detail

Interaction partners 1. F104W, : 8 interactors Detail

More details for 8 interactors identified by 5 citations

Experiments performed 6 experiments Detail

1 2D 1H-15N HSQC