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BMRB: 34496

6Y95

Ca2+-bound Calmodulin mutant N53I

Authors

Holt, C., Nielsen, L.H., Lau, K., Brohus, M., Sorensen, A.B., Larsen, K.T., Sommer, C., Petegem, F.V., Overgaard, M.T., Wimmer, R.

Assembly

Calmodulin

Entity

1. Calmodulin, entity 1 (polymer, Thiol state: not present), 148 monomers, 16705.27 Da Detail

ADQLTEEQIA EFKEAFSLFD KDGDGTITTK ELGTVMRSLG QNPTEAELQD MIIEVDADGN GTIDFPEFLT MMARKMKDTD SEEEIREAFR VFDKDGNGYI SAAELRHVMT NLGEKLTDEE VDEMIREADI DGDGQVNYEE FVQMMTAK

2. Calmodulin, entity CA (non-polymer), 40.078 × 4 Da

Total weight

16865.582 Da

Max. entity weight

16705.27 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation

Chem. Shift Complete

Sequence coverage: 99.3 %, Completeness: 95.5 %, Completeness (bb): 98.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.5 % (1597 of 1673)	94.2 % (818 of 868)	96.1 % (623 of 648)	99.4 % (156 of 157)
Backbone	98.5 % (871 of 884)	97.4 % (297 of 305)	99.1 % (429 of 433)	99.3 % (145 of 146)
Sidechain	93.2 % (863 of 926)	92.5 % (521 of 563)	94.0 % (331 of 352)	100.0 % (11 of 11)
Aromatic	74.0 % (74 of 100)	90.0 % (45 of 50)	58.0 % (29 of 50)
Methyl	100.0 % (146 of 146)	100.0 % (73 of 73)	100.0 % (73 of 73)

1. entity 1

ADQLTEEQIA EFKEAFSLFD KDGDGTITTK ELGTVMRSLG QNPTEAELQD MIIEVDADGN GTIDFPEFLT MMARKMKDTD SEEEIREAFR VFDKDGNGYI SAAELRHVMT NLGEKLTDEE VDEMIREADI DGDGQVNYEE FVQMMTAK

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.1 K, pH 6.57 (±0.05), Details 0.56 mM [U-99% 13C; U-99% 15N] Calmodulin N53I, 2 mM HEPES, 100 mM potassium chloride, 10 mM calcium chloride, 50 mM sodium acetate, 2 mM sodium azide, 0.05 mM TSP, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	Calmodulin N53I	[U-99% 13C; U-99% 15N]	0.56 mM
2	HEPES	natural abundance	2 mM
3	potassium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	10 mM
5	sodium acetate	natural abundance	50 mM
6	sodium azide	natural abundance	2 mM
7	TSP	natural abundance	0.05 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.1 K, pH 6.57 (±0.05), Details 1.0 mM [U-99% 15N] Calmodulin N53I, 2 mM HEPES, 10 mM potassium chloride, 10 mM calcium chloride, 2 mM sodium azide, 0.05 mM TSP, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
8	Calmodulin N53I	[U-99% 15N]	1.0 mM
9	HEPES	natural abundance	2 mM
10	potassium chloride	natural abundance	10 mM
11	calcium chloride	natural abundance	10 mM
12	sodium azide	natural abundance	2 mM
13	TSP	natural abundance	0.05 mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.1 K, pH 6.57 (±0.05), Details 1.0 mM [U-99% 13C; U-99% 15N] Calmodulin, 2 mM HEPES, 10 mM potassium chloride, 10 mM calcium chloride, 2 mM sodium azide, 0.05 mM TSP, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
14	Calmodulin	[U-99% 13C; U-99% 15N]	1.0 mM
15	HEPES	natural abundance	2 mM
16	potassium chloride	natural abundance	10 mM
17	calcium chloride	natural abundance	10 mM
18	sodium azide	natural abundance	2 mM
19	TSP	natural abundance	0.05 mM

Protein Blocks Logo

Calculated from 20 models in PDB: 6Y94, Strand ID: A Detail

Heteronucl. T₁

141 T₁ values in 1 lists
Coherence Sz, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298.1 K, pH 6.57 (±0.05) Detail

Heteronucl. T₂

143 T₂ values in 1 lists
Coherence S(+,-), Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298.1 K, pH 6.57 (±0.05) Detail

Heteronucl. NOE

143 NOE values in 1 lists
Value type peak height, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298.1 K, pH 6.57 (±0.05) Detail

Heteronucl. T₁/T₂

141 T₁/T₂ values in 1 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298.1 K, pH 6.57 (±0.05) Detail

Release date

2020-04-22

Citation

The arrhythmogenic N53I variant subtly changes the structure and dynamics in the calmodulin N-terminal domain, altering its interaction with the cardiac ryanodine receptor
Holt, C., Hamborg, L., Lau, K., Brohus, M., Sorensen, A.B., Larsen, K.T., Sommer, C., Petegem, F.V., Overgaard, M.T., Wimmer, R.
J. Biol. Chem. (2020), 295, 7620-7634, PubMed 32317284 , DOI 10.1074/jbc.RA120.013430 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 34497 released on 2020-04-22
Title Ca2+-free Calmodulin mutant N53I

Related entities 1. Calmodulin, entity 1, : 1 : 4 : 110 : 184 entities Detail

Interaction partners 1. Calmodulin, entity 1, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 25 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.1 K, pH 6.57 (±0.05), Details 0.56 mM [U-99% 13C; U-99% 15N] Calmodulin N53I, 2 mM HEPES, 100 mM potassium chloride, 10 mM calcium chloride, 50 mM sodium acetate, 2 mM sodium azide, 0.05 mM TSP, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	Calmodulin N53I	[U-99% 13C; U-99% 15N]	0.56 mM
2	HEPES	natural abundance	2 mM
3	potassium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	10 mM
5	sodium acetate	natural abundance	50 mM
6	sodium azide	natural abundance	2 mM
7	TSP	natural abundance	0.05 mM

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Calmodulin N53I	[U-99% 13C; U-99% 15N]	0.56 mM
2	HEPES	natural abundance	2 mM
3	potassium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	10 mM
5	sodium acetate	natural abundance	50 mM
6	sodium azide	natural abundance	2 mM
7	TSP	natural abundance	0.05 mM

3 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Calmodulin N53I	[U-99% 13C; U-99% 15N]	0.56 mM
2	HEPES	natural abundance	2 mM
3	potassium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	10 mM
5	sodium acetate	natural abundance	50 mM
6	sodium azide	natural abundance	2 mM
7	TSP	natural abundance	0.05 mM

4 3D 1H-15N TOCSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Calmodulin N53I	[U-99% 13C; U-99% 15N]	0.56 mM
2	HEPES	natural abundance	2 mM
3	potassium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	10 mM
5	sodium acetate	natural abundance	50 mM
6	sodium azide	natural abundance	2 mM
7	TSP	natural abundance	0.05 mM

5 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Calmodulin N53I	[U-99% 13C; U-99% 15N]	0.56 mM
2	HEPES	natural abundance	2 mM
3	potassium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	10 mM
5	sodium acetate	natural abundance	50 mM
6	sodium azide	natural abundance	2 mM
7	TSP	natural abundance	0.05 mM

6 2D (HB)CB(CGCDCE)HE

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Calmodulin N53I	[U-99% 13C; U-99% 15N]	0.56 mM
2	HEPES	natural abundance	2 mM
3	potassium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	10 mM
5	sodium acetate	natural abundance	50 mM
6	sodium azide	natural abundance	2 mM
7	TSP	natural abundance	0.05 mM

7 2D (HB)CB(CGCD)HD

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Calmodulin N53I	[U-99% 13C; U-99% 15N]	0.56 mM
2	HEPES	natural abundance	2 mM
3	potassium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	10 mM
5	sodium acetate	natural abundance	50 mM
6	sodium azide	natural abundance	2 mM
7	TSP	natural abundance	0.05 mM

8 3D HN(CA)CO

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Calmodulin N53I	[U-99% 13C; U-99% 15N]	0.56 mM
2	HEPES	natural abundance	2 mM
3	potassium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	10 mM
5	sodium acetate	natural abundance	50 mM
6	sodium azide	natural abundance	2 mM
7	TSP	natural abundance	0.05 mM

9 3D HNCO

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Calmodulin N53I	[U-99% 13C; U-99% 15N]	0.56 mM
2	HEPES	natural abundance	2 mM
3	potassium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	10 mM
5	sodium acetate	natural abundance	50 mM
6	sodium azide	natural abundance	2 mM
7	TSP	natural abundance	0.05 mM

10 3D HNCA

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Calmodulin N53I	[U-99% 13C; U-99% 15N]	0.56 mM
2	HEPES	natural abundance	2 mM
3	potassium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	10 mM
5	sodium acetate	natural abundance	50 mM
6	sodium azide	natural abundance	2 mM
7	TSP	natural abundance	0.05 mM

11 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Calmodulin N53I	[U-99% 13C; U-99% 15N]	0.56 mM
2	HEPES	natural abundance	2 mM
3	potassium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	10 mM
5	sodium acetate	natural abundance	50 mM
6	sodium azide	natural abundance	2 mM
7	TSP	natural abundance	0.05 mM

12 3D HBHA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Calmodulin N53I	[U-99% 13C; U-99% 15N]	0.56 mM
2	HEPES	natural abundance	2 mM
3	potassium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	10 mM
5	sodium acetate	natural abundance	50 mM
6	sodium azide	natural abundance	2 mM
7	TSP	natural abundance	0.05 mM

13 3D HNCACB

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Calmodulin N53I	[U-99% 13C; U-99% 15N]	0.56 mM
2	HEPES	natural abundance	2 mM
3	potassium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	10 mM
5	sodium acetate	natural abundance	50 mM
6	sodium azide	natural abundance	2 mM
7	TSP	natural abundance	0.05 mM

14 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE III HD - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Calmodulin N53I	[U-99% 13C; U-99% 15N]	0.56 mM
2	HEPES	natural abundance	2 mM
3	potassium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	10 mM
5	sodium acetate	natural abundance	50 mM
6	sodium azide	natural abundance	2 mM
7	TSP	natural abundance	0.05 mM

15 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE III HD - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Calmodulin N53I	[U-99% 13C; U-99% 15N]	0.56 mM
2	HEPES	natural abundance	2 mM
3	potassium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	10 mM
5	sodium acetate	natural abundance	50 mM
6	sodium azide	natural abundance	2 mM
7	TSP	natural abundance	0.05 mM

16 3D 1H-15N NOESY

Instrument

Bruker AVANCE III HD - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Calmodulin N53I	[U-99% 13C; U-99% 15N]	0.56 mM
2	HEPES	natural abundance	2 mM
3	potassium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	10 mM
5	sodium acetate	natural abundance	50 mM
6	sodium azide	natural abundance	2 mM
7	TSP	natural abundance	0.05 mM

17 {1H}-15N NOE

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.1 K, pH 6.57 (±0.05), Details 1.0 mM [U-99% 15N] Calmodulin N53I, 2 mM HEPES, 10 mM potassium chloride, 10 mM calcium chloride, 2 mM sodium azide, 0.05 mM TSP, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
8	Calmodulin N53I	[U-99% 15N]	1.0 mM
9	HEPES	natural abundance	2 mM
10	potassium chloride	natural abundance	10 mM
11	calcium chloride	natural abundance	10 mM
12	sodium azide	natural abundance	2 mM
13	TSP	natural abundance	0.05 mM

18 15N-T2

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
8	Calmodulin N53I	[U-99% 15N]	1.0 mM
9	HEPES	natural abundance	2 mM
10	potassium chloride	natural abundance	10 mM
11	calcium chloride	natural abundance	10 mM
12	sodium azide	natural abundance	2 mM
13	TSP	natural abundance	0.05 mM

19 15N-T1

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
8	Calmodulin N53I	[U-99% 15N]	1.0 mM
9	HEPES	natural abundance	2 mM
10	potassium chloride	natural abundance	10 mM
11	calcium chloride	natural abundance	10 mM
12	sodium azide	natural abundance	2 mM
13	TSP	natural abundance	0.05 mM

20 T2 relaxation dispersion

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
8	Calmodulin N53I	[U-99% 15N]	1.0 mM
9	HEPES	natural abundance	2 mM
10	potassium chloride	natural abundance	10 mM
11	calcium chloride	natural abundance	10 mM
12	sodium azide	natural abundance	2 mM
13	TSP	natural abundance	0.05 mM

21 15N-T1

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.1 K, pH 6.57 (±0.05), Details 1.0 mM [U-99% 13C; U-99% 15N] Calmodulin, 2 mM HEPES, 10 mM potassium chloride, 10 mM calcium chloride, 2 mM sodium azide, 0.05 mM TSP, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
14	Calmodulin	[U-99% 13C; U-99% 15N]	1.0 mM
15	HEPES	natural abundance	2 mM
16	potassium chloride	natural abundance	10 mM
17	calcium chloride	natural abundance	10 mM
18	sodium azide	natural abundance	2 mM
19	TSP	natural abundance	0.05 mM

22 15N-T2

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
14	Calmodulin	[U-99% 13C; U-99% 15N]	1.0 mM
15	HEPES	natural abundance	2 mM
16	potassium chloride	natural abundance	10 mM
17	calcium chloride	natural abundance	10 mM
18	sodium azide	natural abundance	2 mM
19	TSP	natural abundance	0.05 mM

23 {1H}-15N NOE

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
14	Calmodulin	[U-99% 13C; U-99% 15N]	1.0 mM
15	HEPES	natural abundance	2 mM
16	potassium chloride	natural abundance	10 mM
17	calcium chloride	natural abundance	10 mM
18	sodium azide	natural abundance	2 mM
19	TSP	natural abundance	0.05 mM

24 T2 relaxation dispersion

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
14	Calmodulin	[U-99% 13C; U-99% 15N]	1.0 mM
15	HEPES	natural abundance	2 mM
16	potassium chloride	natural abundance	10 mM
17	calcium chloride	natural abundance	10 mM
18	sodium azide	natural abundance	2 mM
19	TSP	natural abundance	0.05 mM

25 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Calmodulin N53I	[U-99% 13C; U-99% 15N]	0.56 mM
2	HEPES	natural abundance	2 mM
3	potassium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	10 mM
5	sodium acetate	natural abundance	50 mM
6	sodium azide	natural abundance	2 mM
7	TSP	natural abundance	0.05 mM

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts, Heteronucl NOE exptl data, Heteronucl T1 relaxation data, Heteronucl T2 relaxation data	bmr34496_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr34496_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1780		100.0 (chain: 1, length: 148)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 148, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 992
  - ¹³C chemical shifts: 631
  - ¹⁵N chemical shifts: 157
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
64	ASP	CG	178.787
97	ASN	CG	179.681
135	GLN	CD	178.884
137	ASN	CG	175.288

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	868	828	95.4
¹³C chemical shifts	648	627	96.8
¹⁵N chemical shifts	163	157	96.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	305	305	100.0
¹³C chemical shifts	296	296	100.0
¹⁵N chemical shifts	146	146	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	563	523	92.9
¹³C chemical shifts	352	331	94.0
¹⁵N chemical shifts	17	11	64.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	82	82	100.0
¹³C chemical shifts	82	82	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	50	49	98.0
¹³C chemical shifts	50	29	58.0

Keywords CPVT, METAL BINDING PROTEIN, Mutant, metal-binding, signaling protein

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Found 1 Document (0.792 seconds)

BMRB: 34496

Sample #1

Sample #2

Sample #3

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. Calmodulin, entity 1, : 1 : 4 : 110 : 184 entities Detail

Interaction partners 1. Calmodulin, entity 1, : 1 interactors Detail

Experiments performed 25 experiments Detail

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