BMRB Entry 18256

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18256
MolProbity Validation Chart

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Title:
R state structure of monomeric phospholamban (C36A, C41F, C46A)
Deposition date:
2012-02-11
Original release date:
2013-02-11
Authors:
De Simone, Alfonso; Montalvao, Rinaldo; Gustavsson, Martin; Shi, Lei; Veglia, Gianluigi; Vendruscolo, Michele
Citation:

Citation: De Simone, Alfonso; Gustavsson, Martin; Montalvao, Rinaldo; Shi, Lei; Veglia, Gianluigi; Vendruscolo, Michele. "Structures of the excited states of phospholamban and shifts in their populations upon phosphorylation."  Biochemistry 52, 6684-6694 (2013).
PubMed: 23968132

Assembly members:

Assembly members:
Phospholamban, polymer, 53 residues, 6150.531 Da.

Natural source:

Natural source:   Common Name: Rabbit   Taxonomy ID: 9986   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Oryctolagus cuniculus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Phospholamban: AMEKVQYLTRSAIRRASTIE MPQQARQNLQNLFINFALIL IFLLLIAIIVMLL

Data sets:
Data typeCount
13C chemical shifts152
15N chemical shifts50
1H chemical shifts101

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1monomeric phospholamban (C36A, C41F, C46A)1

Entities:

Entity 1, monomeric phospholamban (C36A, C41F, C46A) 53 residues - 6150.531 Da.

1   ALAMETGLULYSVALGLNTYRLEUTHRARG
2   SERALAILEARGARGALASERTHRILEGLU
3   METPROGLNGLNALAARGGLNASNLEUGLN
4   ASNLEUPHEILEASNPHEALALEUILELEU
5   ILEPHELEULEULEUILEALAILEILEVAL
6   METLEULEU

Samples:

sample_1: Phospholamban, [U-99% 13C; U-99% 15N], 1-1.5 mM; sodium chloride 120 mM; D2O 5%; sodium phosphate 20 mM; dodecylphosphocholine 100 mM

Sample_2: Phospholamban, [U-99% 13C; U-99% 15N], 1-1.5 mM; sodium chloride 120 mM; D2O 5%; sodium phosphate 20 mM; dodecylphosphocholine 100 mM; acrylamide 5.1%; bis-acrylamide 1.3%

sample_3: Phospholamban, [U-99% 13C; U-99% 15N], 1-1.5 mM; sodium chloride 120 mM; D2O 5%; sodium phosphate 20 mM; dodecylphosphocholine 100 mM; acrylamide 3.85%; bis-acrylamide 1.3%; 2-(acrylamido)-2-methyl-1-propanesulfonic acid 1.25%

sample_conditions_1: ionic strength: 0.120 M; pH: 6.0; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_1isotropicsample_conditions_1
3D HNCOSample_2anisotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCSample_2anisotropicsample_conditions_1
2D 1H-15N HSQCsample_3anisotropicsample_conditions_1
2D HN(a/b-NCO-J)-TROSYsample_1isotropicsample_conditions_1
2D HN(a/b-NC0-J)-TROSYSample_2anisotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1

Software:

SPARKY, Goddard - data analysis

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

NMR spectrometers:

  • Varian VNMRS 600 MHz

Related Database Links:

BMRB 25222
PDB

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks