BMRB Entry 5738

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5738

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: The NMR Structure of a Bifunctional Rhodamine Labeled N-domain of Troponin C in Complex with the Regulatory 'Switch' Peptide from Troponin I PubMed: 12693929

Deposition date: 2003-03-14 Original release date: 2003-08-07

Authors: Mercier, P.; Ferguson, R.; Irving, M.; Corrie, J.; Trentham, D.; Sykes, B.

Citation: Mercier, P.; Ferguson, R.; Irving, M.; Corrie, J.; Trentham, D.; Sykes, B.. "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 " Biochemistry 42, 4333-4348 (2003).

Assembly members:
Troponin C, polymer, 90 residues, Formula weight is not available
Troponin I, polymer, 17 residues, Formula weight is not available
CA, non-polymer, 40.078 Da.

Natural source: Common Name: chicken Taxonomy ID: 9031 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Gallus gallus

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):
Troponin C: ASMTDQQAEARAFLSEEMIA EFKAAFDMFDADGGGDISTK ELGTVMRMLGQNPTKCELDA IICEVDEDGSGTIDFEEFLV MMVRQMKEDA
Troponin I: RMSADAMLRALLGSKHK

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1
- chemical_shift_set_2

Data type	Count
1H chemical shifts	629
13C chemical shifts	263
15N chemical shifts	87

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	Troponin C	1
2	Troponin I	2
3	CALCIUM ION(II) 1	3
4	CALCIUM ION(II) 2	3

1	ALA	SER	MET	THR	ASP	GLN	GLN	ALA	GLU	ALA
2	ARG	ALA	PHE	LEU	SER	GLU	GLU	MET	ILE	ALA
3	GLU	PHE	LYS	ALA	ALA	PHE	ASP	MET	PHE	ASP
4	ALA	ASP	GLY	GLY	GLY	ASP	ILE	SER	THR	LYS
5	GLU	LEU	GLY	THR	VAL	MET	ARG	MET	LEU	GLY
6	GLN	ASN	PRO	THR	LYS	CYS	GLU	LEU	ASP	ALA
7	ILE	ILE	CYS	GLU	VAL	ASP	GLU	ASP	GLY	SER
8	GLY	THR	ILE	ASP	PHE	GLU	GLU	PHE	LEU	VAL
9	MET	MET	VAL	ARG	GLN	MET	LYS	GLU	ASP	ALA

Name	Sample	Sample state	Sample conditions
3D 15N-separated NOESY	sample_1	not available	sample_cond_1
3D 15N/13C-NOESY	sample_1	not available	sample_cond_1
HNHA	sample_1	not available	sample_cond_1
2D 13C/15N-edited-NOESY	sample_1	not available	sample_cond_1
2D 13C/15N-filtered/edited-NOESY	sample_1	not available	sample_cond_1

BMRB	16414
PDB	1NPQ 1YTZ 1YV0 2W49 2W4U 1YV0 1YTZ 1NPQ
EMBL	CAA27447 CAA27447
GB	AAA61952 AAB00122 AAH44282 AAH84508 AAL86905
REF	NP_001011110 NP_001079556 NP_990748 XP_001518819 XP_002199061 XP_001518819 NP_990748 NP_001079556 NP_001011110
SP	P68246 P68247
SWISS-PROT	P68247 P68246
GenBank	AAL86905 AAH84508 AAH44282 AAB00122 AAA61952

Biological Magnetic Resonance Data Bank

BMRB Entry 5738

Title: The NMR Structure of a Bifunctional Rhodamine Labeled N-domain of Troponin C in Complex with the Regulatory 'Switch' Peptide from Troponin I PubMed: 12693929

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

1	ALA	SER	MET	THR	ASP	GLN	GLN	ALA	GLU	ALA
2	ARG	ALA	PHE	LEU	SER	GLU	GLU	MET	ILE	ALA
3	GLU	PHE	LYS	ALA	ALA	PHE	ASP	MET	PHE	ASP
4	ALA	ASP	GLY	GLY	GLY	ASP	ILE	SER	THR	LYS
5	GLU	LEU	GLY	THR	VAL	MET	ARG	MET	LEU	GLY
6	GLN	ASN	PRO	THR	LYS	CYS	GLU	LEU	ASP	ALA
7	ILE	ILE	CYS	GLU	VAL	ASP	GLU	ASP	GLY	SER
8	GLY	THR	ILE	ASP	PHE	GLU	GLU	PHE	LEU	VAL
9	MET	MET	VAL	ARG	GLN	MET	LYS	GLU	ASP	ALA

1	ALA	SER	MET	THR	ASP	GLN	GLN	ALA	GLU	ALA
2	ARG	ALA	PHE	LEU	SER	GLU	GLU	MET	ILE	ALA
3	GLU	PHE	LYS	ALA	ALA	PHE	ASP	MET	PHE	ASP
4	ALA	ASP	GLY	GLY	GLY	ASP	ILE	SER	THR	LYS
5	GLU	LEU	GLY	THR	VAL	MET	ARG	MET	LEU	GLY
6	GLN	ASN	PRO	THR	LYS	CYS	GLU	LEU	ASP	ALA
7	ILE	ILE	CYS	GLU	VAL	ASP	GLU	ASP	GLY	SER
8	GLY	THR	ILE	ASP	PHE	GLU	GLU	PHE	LEU	VAL
9	MET	MET	VAL	ARG	GLN	MET	LYS	GLU	ASP	ALA

1	ALA	SER	MET	THR	ASP	GLN	GLN	ALA	GLU	ALA
2	ARG	ALA	PHE	LEU	SER	GLU	GLU	MET	ILE	ALA
3	GLU	PHE	LYS	ALA	ALA	PHE	ASP	MET	PHE	ASP
4	ALA	ASP	GLY	GLY	GLY	ASP	ILE	SER	THR	LYS
5	GLU	LEU	GLY	THR	VAL	MET	ARG	MET	LEU	GLY
6	GLN	ASN	PRO	THR	LYS	CYS	GLU	LEU	ASP	ALA
7	ILE	ILE	CYS	GLU	VAL	ASP	GLU	ASP	GLY	SER
8	GLY	THR	ILE	ASP	PHE	GLU	GLU	PHE	LEU	VAL
9	MET	MET	VAL	ARG	GLN	MET	LYS	GLU	ASP	ALA