BMRB: 17243

The Solution Structure of Human Cardiac Troponin C in complex with the Green Tea Polyphenol; (-)-epigallocatechin-3-gallate

Authors

Robertson, I.M., Li, M.X., Sykes, B.D.

Assembly

PROTEIN

Entity

1. cCTnC (polymer, Thiol state: not present), 72 monomers, 8361.135 Da Detail

MGKSEEELSD LFRMFDKNAD GYIDLDELKI MLQATGETIT EDDIEELMKD GDKNNDGRID YDEFLEFMKG VE

2. CA (non-polymer, Thiol state: not present), 40.078 × 2 Da
3. EGC (non-polymer, Thiol state: not present), 602.797 Da

Total weight

9044.088 Da

Max. entity weight

8361.135 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 81.8 %, Completeness (bb): 82.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	81.8 % (685 of 837)	89.5 % (392 of 438)	69.0 % (223 of 323)	92.1 % (70 of 76)
Backbone	82.4 % (356 of 432)	97.3 % (146 of 150)	66.7 % (140 of 210)	97.2 % (70 of 72)
Sidechain	83.7 % (394 of 471)	85.4 % (246 of 288)	82.7 % (148 of 179)	0.0 % (0 of 4)
Aromatic	30.4 % (17 of 56)	60.7 % (17 of 28)	0.0 % (0 of 28)
Methyl	100.0 % (62 of 62)	100.0 % (31 of 31)	100.0 % (31 of 31)

1. cCTnC

MGKSEEELSD LFRMFDKNAD GYIDLDELKI MLQATGETIT EDDIEELMKD GDKNNDGRID YDEFLEFMKG VE

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	cCTnC	[U-100% 13C; U-100% 15N]		0.5 ~ 1.0 mM
2	H2O	natural abundance		95 %
3	D2O	natural abundance		5 %

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LACS Plot; CA

Referencing offset: 0.58 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.58 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.01 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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Protein Blocks Logo

Calculated from 30 models in PDB: 2KDH, Strand ID: A Detail

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Release date

2011-05-31

Citation

Solution structure of human cardiac troponin C in complex with the green tea polyphenol, (-)-epigallocatechin 3-gallate
Robertson, I.M., Li, M.X., Sykes, B.D.
J. Biol. Chem. (2009), 284, 23012-23023, PubMed 19542563 , DOI 10.1074/jbc.M109.021352 , Abstract

Related entities 1. cCTnC, : 1 : 2 : 12 : 516 entities Detail

Interaction partners 1. cCTnC, : 8 interactors Detail

Experiments performed 12 experiments Detail