BMRB Entry 19789

Name: N domain of cardiac troponin C bound to the switch fragment of fast skeletal troponin I at pH 6
Published: 2014-02-11

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PDB ID: 2mkp
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19789
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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

N domain of cardiac troponin C bound to the switch fragment of fast skeletal troponin I at pH 6

Deposition date:

2014-02-11

Original release date:

2014-02-11

Authors:

Robertson, Ian; Pineda-Sanabria, Sandra; Holmes, Peter; Sykes, Brian

Citation:

Citation: Robertson, Ian; Pineda-Sanabria, Sandra; Holmes, Peter; Sykes, Brian. "Conformation of the critical pH sensitive region of troponin depends upon a single residue in troponin I." Arch. Biochem. Biophys. ., .-. (2013).
PubMed: 24333682

Assembly members:

Assembly members:
cNTnC, polymer, 89 residues, 10070.361 Da.
sTnI(115-131), polymer, 17 residues, 1862.297 Da.
CALCIUM ION, non-polymer, 40.078 Da.

Natural source:

Natural source: Common Name: human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-3a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
cNTnC: MDDIYKAAVEQLTEEQKNEF KAAFDIFVLGAEDGCISTKE LGKVMRMLGQNPTPEELQEM IDEVDEDGSGTVDFDEFLVM MVRCMKDDS
sTnI(115-131): RMSADAMLKALLGSKHK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
- assigned_chem_shift_list_2

Data type	Count
13C chemical shifts	94
15N chemical shifts	82
1H chemical shifts	416

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	cNTnC	1
2	sTnI(115-131)	2
3	entity_CA	3

Entities:

Entity 1, cNTnC 89 residues - 10070.361 Da.

1

MET

ASP

ILE

TYR

LYS

ALA

VAL

GLU

2

GLN

LEU

THR

GLU

GLN

LYS

ASN

GLU

PHE

3

LYS

ALA

PHE

ASP

ILE

PHE

VAL

LEU

GLY

4

ALA

GLU

ASP

GLY

CYS

ILE

SER

THR

LYS

GLU

5

LEU

GLY

LYS

VAL

MET

ARG

MET

LEU

GLY

GLN

6

ASN

PRO

THR

PRO

GLU

LEU

GLN

GLU

MET

7

ILE

ASP

GLU

VAL

ASP

GLU

ASP

GLY

SER

GLY

8

THR

VAL

ASP

PHE

ASP

GLU

PHE

LEU

VAL

MET

9

MET

VAL

ARG

CYS

MET

LYS

ASP

SER

Entity 2, sTnI(115-131) 17 residues - 1862.297 Da.

1

ARG

MET

SER

ALA

ASP

ALA

MET

LEU

LYS

ALA

2

LEU

GLY

SER

LYS

HIS

LYS

Entity 3, entity_CA - Ca - 40.078 Da.

1

CA

Samples:

sample_1: cNTnC, [U-95% 13C; U-95% 15N], 0.2 – 0.3 mM; sTnI(115-131)2 – 2.5 mM; DSS 0.25 mM; potassium chloride 100 mM; imidazole 10 mM; Calcium 10 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 0.12 M; pH: 6.00; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1

Software:

VNMRJ, Varian - collection

PSVS, Bhattacharya and Montelione - data analysis, refinement

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis, processing

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking

X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - geometry optimization, refinement

NMR spectrometers:

Varian Unity 600 MHz
Varian INOVA 500 MHz

BMRB	15385 15388 15400 15427 16190 16752 17103 25034 25035 25120 25495 4401
PDB	1AJ4 1AP4 1DTL 1J1D 1J1E 1LA0 1LXF 1MXL 1SPY 1WRK 1WRL 2CTN 2JT0 2JT3 2JT8 2JTZ 2JXL 2KFX 2KGB 2KRD 2L1R 2MKP 2MZP 3SD6 3SWB 4GJE 4GJF 2MKP
DBJ	BAA02369 BAG36483
EMBL	CAA30736 CAG46663 CAG46683 CAA32392 CAB59981 CAF89916 CAF89918 CAF89919
GB	AAA36772 AAA37492 AAA37493 AAA48654 AAA49502 AAA19813 AAA31490 AAA40485 AAA42149 AAB26824
PIR	S07450 TPHUCC
PRF	1403394A 1510257A 750650A 1914142A
REF	NP_001029277 NP_001029523 NP_001123715 NP_001272501 NP_001291793 NP_001027530 NP_001076252 NP_001139301 NP_001139313 NP_001162377
SP	P02591 P05936 P09860 P19123 P63315 P02643 P13412 P27768 P48788
TPG	DAA16908 DAA13498
AlphaFold	P02591 P05936 P09860 P19123 P63315 P02643 P13412 P27768 P48788