BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	48.0 % (323 of 673)	33.5 % (117 of 349)	59.5 % (157 of 264)	81.7 % (49 of 60)
Backbone	94.3 % (298 of 316)	95.2 % (100 of 105)	93.7 % (149 of 159)	94.2 % (49 of 52)
Sidechain	18.5 % (76 of 410)	7.0 % (17 of 244)	37.3 % (59 of 158)	0.0 % (0 of 8)
Aromatic	0.0 % (0 of 38)	0.0 % (0 of 19)	0.0 % (0 of 19)
Methyl	14.6 % (14 of 96)	10.4 % (5 of 48)	18.8 % (9 of 48)

1. Phospholamban

AMEKVQYLTR SAIRRASTIE MPQQARQNLQ NLFINFALIL IFLLLIAIIV MLL

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	Phospholamban	[U-99% 13C; U-99% 15N]	1-1.5 mM
2	sodium chloride	natural abundance	120 mM
3	D2O	natural abundance	5 %
4	sodium phosphate	natural abundance	20 mM
5	dodecylphosphocholine	natural abundance	100 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
6	Phospholamban	[U-99% 13C; U-99% 15N]	1-1.5 mM
7	sodium chloride	natural abundance	120 mM
8	D2O	natural abundance	5 %
9	sodium phosphate	natural abundance	20 mM
10	dodecylphosphocholine	natural abundance	100 mM
11	acrylamide	natural abundance	5.1 %
12	bis-acrylamide	natural abundance	1.3 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
13	Phospholamban	[U-99% 13C; U-99% 15N]	1-1.5 mM
14	sodium chloride	natural abundance	120 mM
15	D2O	natural abundance	5 %
16	sodium phosphate	natural abundance	20 mM
17	dodecylphosphocholine	natural abundance	100 mM
18	acrylamide	natural abundance	3.85 %
19	bis-acrylamide	natural abundance	1.3 %
20	2-(acrylamido)-2-methyl-1-propanesulfonic acid	natural abundance	1.25 %

Protein Blocks Logo

Calculated from 1 models in PDB: 2LPF, Strand ID: A Detail

Release date

2013-02-10

Citation

Structures of the excited states of phospholamban and shifts in their populations upon phosphorylation
De Simone, A., Gustavsson, M., Montalvao, R.W., Shi, L., Veglia, G., Vendruscolo, M.
Biochemistry (2013), 52, 6684-6694, PubMed 23968132 , DOI 10.1021/bi400517b , Abstract

Related entities 1. monomeric phospholamban (C36A, C41F, C46A), : 1 : 2 : 9 : 7 entities Detail

Interaction partners 1. monomeric phospholamban (C36A, C41F, C46A), : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 10 experiments Detail

1 3D HNCO

Instrument

Varian VNMRS - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	Phospholamban	[U-99% 13C; U-99% 15N]	1-1.5 mM
2	sodium chloride	natural abundance	120 mM
3	D2O	natural abundance	5 %
4	sodium phosphate	natural abundance	20 mM
5	dodecylphosphocholine	natural abundance	100 mM

2 3D HNCO

Instrument

Varian VNMRS - 600 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
6	Phospholamban	[U-99% 13C; U-99% 15N]	1-1.5 mM
7	sodium chloride	natural abundance	120 mM
8	D2O	natural abundance	5 %
9	sodium phosphate	natural abundance	20 mM
10	dodecylphosphocholine	natural abundance	100 mM
11	acrylamide	natural abundance	5.1 %
12	bis-acrylamide	natural abundance	1.3 %

3 3D C(CO)NH

Instrument

Varian VNMRS - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	Phospholamban	[U-99% 13C; U-99% 15N]	1-1.5 mM
2	sodium chloride	natural abundance	120 mM
3	D2O	natural abundance	5 %
4	sodium phosphate	natural abundance	20 mM
5	dodecylphosphocholine	natural abundance	100 mM

4 2D 1H-15N HSQC

Instrument

Varian VNMRS - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	Phospholamban	[U-99% 13C; U-99% 15N]	1-1.5 mM
2	sodium chloride	natural abundance	120 mM
3	D2O	natural abundance	5 %
4	sodium phosphate	natural abundance	20 mM
5	dodecylphosphocholine	natural abundance	100 mM

5 2D 1H-15N HSQC

Instrument

Varian VNMRS - 600 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
6	Phospholamban	[U-99% 13C; U-99% 15N]	1-1.5 mM
7	sodium chloride	natural abundance	120 mM
8	D2O	natural abundance	5 %
9	sodium phosphate	natural abundance	20 mM
10	dodecylphosphocholine	natural abundance	100 mM
11	acrylamide	natural abundance	5.1 %
12	bis-acrylamide	natural abundance	1.3 %

6 2D 1H-15N HSQC

Instrument

Varian VNMRS - 600 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
13	Phospholamban	[U-99% 13C; U-99% 15N]	1-1.5 mM
14	sodium chloride	natural abundance	120 mM
15	D2O	natural abundance	5 %
16	sodium phosphate	natural abundance	20 mM
17	dodecylphosphocholine	natural abundance	100 mM
18	acrylamide	natural abundance	3.85 %
19	bis-acrylamide	natural abundance	1.3 %
20	2-(acrylamido)-2-methyl-1-propanesulfonic acid	natural abundance	1.25 %

7 2D HN(a/b-NCO-J)-TROSY

Instrument

Varian VNMRS - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	Phospholamban	[U-99% 13C; U-99% 15N]	1-1.5 mM
2	sodium chloride	natural abundance	120 mM
3	D2O	natural abundance	5 %
4	sodium phosphate	natural abundance	20 mM
5	dodecylphosphocholine	natural abundance	100 mM

8 2D HN(a/b-NC0-J)-TROSY

Instrument

Varian VNMRS - 600 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
6	Phospholamban	[U-99% 13C; U-99% 15N]	1-1.5 mM
7	sodium chloride	natural abundance	120 mM
8	D2O	natural abundance	5 %
9	sodium phosphate	natural abundance	20 mM
10	dodecylphosphocholine	natural abundance	100 mM
11	acrylamide	natural abundance	5.1 %
12	bis-acrylamide	natural abundance	1.3 %

9 3D C(CO)NH

Instrument

Varian VNMRS - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	Phospholamban	[U-99% 13C; U-99% 15N]	1-1.5 mM
2	sodium chloride	natural abundance	120 mM
3	D2O	natural abundance	5 %
4	sodium phosphate	natural abundance	20 mM
5	dodecylphosphocholine	natural abundance	100 mM

10 3D H(CCO)NH

Instrument

Varian VNMRS - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	Phospholamban	[U-99% 13C; U-99% 15N]	1-1.5 mM
2	sodium chloride	natural abundance	120 mM
3	D2O	natural abundance	5 %
4	sodium phosphate	natural abundance	20 mM
5	dodecylphosphocholine	natural abundance	100 mM

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, RDC restraints	combined_18256_2lpf.nef
Input source #2: Coordindates	2lpf.cif
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

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--------40--------50---
AMEKVQYLTRSAIRRASTIEMPQQARQNLQNLFINFALILIFLLLIAIIVMLL
|||||||||||||||||||||||||||||||||||||||||||||||||||||
AMEKVQYLTRSAIRRASTIEMPQQARQNLQNLFINFALILIFLLLIAIIVMLL

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	53	0	0	100.0

Content subtype: combined_18256_2lpf.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	OK	303		98.1 (chain: A, length: 53)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_2	OK	142 (142)	.	98.1 (chain: A, length: 53)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 53, Sequence coverage: 98.1%
- Total number of assignments
  - ¹H chemical shifts: 101
  - ¹³C chemical shifts: 152
  - ¹⁵N chemical shifts: 50
- Completeness of assignments
  - Entity_assemble_ID: A
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	349	101	28.9
¹³C chemical shifts	264	152	57.6
¹⁵N chemical shifts	64	50	78.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	105	101	96.2
¹³C chemical shifts	106	100	94.3
¹⁵N chemical shifts	52	50	96.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	244	0	0.0
¹³C chemical shifts	158	52	32.9
¹⁵N chemical shifts	12	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	51	0	0.0
¹³C chemical shifts	51	5	9.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	19	0	0.0
¹³C chemical shifts	19	0	0.0

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 53, Sequence coverage: 98.1%
- Total number of restraints: 142
- Potential type of restraints: square-well-parabolic (142)
- Range of observed RDC values: -9.37, 18.5 (Hz)
- Histogram of observed RDC values
- RDC restraints per residue
  - Chain_ID: A
    None

Keywords dilated cardiomyopathy, ensemble average, excited state, membrane protein, molecular dynamics, phospholamban, residual dipolar coupling

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Found 1 Document (0.644 seconds)

BMRB: 18256

Sample #1

Sample #2

Sample #3

Related entities 1. monomeric phospholamban (C36A, C41F, C46A), : 1 : 2 : 9 : 7 entities Detail

Interaction partners 1. monomeric phospholamban (C36A, C41F, C46A), : 1 interactors Detail

Experiments performed 10 experiments Detail

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NMR combined restraints 3 contents Detail