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BMRB: 15400

2JT8

Backbone and side chain chemical shift assignments of the F153-to-5-flurotryptophan mutant of human cardiac troponin C

Authors

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

Assembly

F153(FTR) cTnC

Entity

1. F153(FTR) (polymer, Thiol state: not present), 161 monomers, 18427.23 Da Detail

MDDIYKAAVE QLTEEQKNEF KAAFDIFVLG AEDGSISTKE LGKVMRMLGQ NPTPEELQEM IDEVDEDGSG TVDFDEFLVM MVRSMKDDSK GKSEEELSDL FRMFDKNADG YIDLDELKIM LQATGETITE DDIEELMKDG DKNNDGRIDY DEXLEFMKGV E

2. CA (non-polymer), 40.078 Da

Total weight

18467.309 Da

Max. entity weight

18427.23 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.5 %, Completeness: 77.1 %, Completeness (bb): 82.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	77.1 % (1418 of 1838)	78.1 % (750 of 960)	72.7 % (516 of 710)	90.5 % (152 of 168)
Backbone	82.6 % (790 of 956)	95.8 % (316 of 330)	69.2 % (324 of 468)	94.9 % (150 of 158)
Sidechain	74.9 % (771 of 1030)	68.9 % (434 of 630)	85.9 % (335 of 390)	20.0 % (2 of 10)
Aromatic	24.0 % (25 of 104)	25.0 % (13 of 52)	23.1 % (12 of 52)
Methyl	100.0 % (148 of 148)	100.0 % (74 of 74)	100.0 % (74 of 74)

1. F153(FTR)

MDDIYKAAVE QLTEEQKNEF KAAFDIFVLG AEDGSISTKE LGKVMRMLGQ NPTPEELQEM IDEVDEDGSG TVDFDEFLVM MVRSMKDDSK GKSEEELSDL FRMFDKNADG YIDLDELKIM LQATGETITE DDIEELMKDG DKNNDGRIDY DEXLEFMKGV 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	F153(FTR)	natural abundance	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 mM
5	D2O		10 mM

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: -0.03 ppm, Outliers: 2 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: -0.03 ppm, Outliers: 2 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: -0.03 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2JT8, Strand ID: A Detail

Release date

2007-08-12

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. F153(FTR), : 1 : 13 : 238 entities Detail

Interaction partners 1. F153(FTR), : 8 interactors Detail

More details for 8 interactors identified by 5 citations

Experiments performed 6 experiments Detail

1 2D 1H-15N HSQC