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The NMR Structure of a Bifunctional Rhodamine Labeled N-domain of Troponin C in Complex with the Regulatory 'Switch' Peptide from Troponin I
Authors
Mercier, P., Ferguson, R.E., Irving, M., Corrie, J.E.T., Trentham, D.R., Sykes, B.D.
Assembly
Tropinin C and I complex
Entity
1. Troponin C (polymer, Thiol state: all free), 90 monomers, 9925.082 Da Detail

ASMTDQQAEA RAFLSEEMIA EFKAAFDMFD ADGGGDISTK ELGTVMRMLG QNPTKCELDA IICEVDEDGS GTIDFEEFLV MMVRQMKEDA


2. Troponin I (polymer, Thiol state: not present), 17 monomers, 1885.262 Da Detail

RMSADAMLRA LLGSKHK


3. CA (non-polymer), 40.078 × 2 Da
Total weight
11890.5 Da
Max. entity weight
9925.082 Da
Source organism
Gallus gallus
Exptl. method
NMR
Refine. method
simulated annealing using torsion angle dynamics AND cartesian dynamics
Data set
assigned_chemical_shifts
Chem. Shift Complete1
Sequence coverage: 83.2 %, Completeness: 67.3 %, Completeness (bb): 69.2 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All67.3 % (800 of 1189)71.4 % (440 of 616)59.7 % (276 of 462)75.7 % (84 of 111)
Backbone69.2 % (443 of 640)80.5 % (178 of 221)57.8 % (181 of 313)79.2 % (84 of 106)
Sidechain67.6 % (438 of 648)66.3 % (262 of 395)71.0 % (176 of 248) 0.0 % (0 of 5)
Aromatic12.5 % (8 of 64)15.6 % (5 of 32) 9.4 % (3 of 32)
Methyl80.8 % (84 of 104)80.8 % (42 of 52)80.8 % (42 of 52)

1. Troponin C

ASMTDQQAEA RAFLSEEMIA EFKAAFDMFD ADGGGDISTK ELGTVMRMLG QNPTKCELDA IICEVDEDGS GTIDFEEFLV MMVRQMKEDA

2. Troponin I

RMSADAMLRA LLGSKHK

Sample

Pressure 1 atm, Temperature 303 K, pH 6.5


#NameIsotope labelingTypeConcentration
1Troponin C1 mM
2Troponin I1 mM
3Ca2+2 mM
4KCl320 mM
5imidazole10 mM
6NaN33 %
7H2O90 %
8D2O10 %

Chem. Shift Complete2
Sequence coverage: 28.0 %, Completeness: 41.8 %, Completeness (bb): 42.8 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All41.8 % (995 of 2378)46.4 % (572 of 1232)35.2 % (325 of 924)44.1 % (98 of 222)
Backbone42.8 % (548 of 1280)52.5 % (232 of 442)34.8 % (218 of 626)46.2 % (98 of 212)
Sidechain41.7 % (541 of 1296)43.0 % (340 of 790)40.5 % (201 of 496) 0.0 % (0 of 10)
Aromatic 6.3 % (8 of 128) 7.8 % (5 of 64) 4.7 % (3 of 64)
Methyl45.7 % (95 of 208)50.0 % (52 of 104)41.3 % (43 of 104)

1. Troponin C

ASMTDQQAEA RAFLSEEMIA EFKAAFDMFD ADGGGDISTK ELGTVMRMLG QNPTKCELDA IICEVDEDGS GTIDFEEFLV MMVRQMKEDA

2. Troponin I

RMSADAMLRA LLGSKHK

Sample

Pressure 1 atm, Temperature 303 K, pH 6.5


#NameIsotope labelingTypeConcentration
1Troponin C1 mM
2Troponin I1 mM
3Ca2+2 mM
4KCl320 mM
5imidazole10 mM
6NaN33 %
7H2O90 %
8D2O10 %

Protein Blocks Logo
Calculated from 21 models in PDB: 1NPQ, Strand ID: A, B Detail


Release date
2003-08-06
Citation
NMR structure of a bifunctional rhodamine labeled N-domain of troponin C complexed with the regulatory "switch" peptide from troponin I: implications for in situ fluorescence studies in muscle fibers
Mercier, P., Ferguson, R.E., Irving, M., Corrie, J.E.T., Trentham, D.R., Sykes, B.D.
Biochemistry (2003), 42, 4333-4348, PubMed 12693929 , DOI 10.1021/bi027041n ,
Related entities 1. Troponin C, : 109 entities Detail
Related entities 2. Troponin I, : 1 : 5 : 22 : 30 entities Detail
Interaction partners 2. Troponin I, : 2 interactors Detail
Experiments performed 5 experiments Detail
nullKeywords Troponin C- Troponin I complex, bifunctional rhodamine labeled Toponin C